3-哌啶甲醇 | 4606-65-9
中文名称:
3-哌啶甲醇
英文名称:
piperidin-3-ylmethanol
CAS No.:
4606-65-9
分子式:
C6 H1 3 NO
分子量:
115.17352
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-哌啶甲醇结构式
名称和标识符
MDL
MFCD00005997
InChIKey
VUNPWIPIOOMCPT-UHFFFAOYSA-N
Inchi
1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
SMILES
C1CC(CNC1)CO
BRN
103058
别名信息
- 中文别名 -
3-哌啶甲醇
3-羟甲基哌啶
3-甲醇哌啶
(S)-(+)-3-羟基吡咯烷盐酸盐
3-Piperidinemethanol 3-哌啶甲醇
3-哌啶甲醇(3-羟甲基哌啶)
D-苯甘氨醇
N-Boc-3哌啶甲醇
3-哌啶甲醇,3-羟甲基哌啶
3-哌啶甲醇或3-羟甲基哌啶或3-甲醇哌啶
3-羟甲基哌啶(3-甲醇哌啶)
N-BOC-3-哌啶甲醇
3-(羟甲基)哌啶
- 英文别名 -
3-(Hydroxymethyl)piperidine
3-Piperidinyl carbinol
3-Piperidinemethanol
piperidin-3-ylmethanol
Piperidin-3-yl methanol
3-Piperidinylmethanol #
3-(hydroxymethyl) piperidine
3-piperdinemethanol
rac-3-hydroxymethylpiperidine
FT-0649793
AM100839
DTXSID60871091
VUNPWIPIOOMCPT-UHFFFAOYSA-
3-Piperidinemethanol, 96%
3-Piperidine Methanol
(R)-3-Piperidinemethanol
3-hydroxymethyl piperidine
4606-65-9
piperdin-3-yl methanol
3-piperidylmethanol
racemic piperidin-3-methanol
MFCD00005997
MFCD10567175
CS-W001981
SY027077
(+/-)-piperidin-3-yl-methanol
3-hydroxymethyl-piperidine
AKOS000120291
Piperidin-3-Yl-Methanol
racemic 3-piperidinemethanol
piperidine-3-methanol
Piperidin-3-ylmethanol
AKOS016050378
3-Hydroxymethylpiperidine
J-502110
SCHEMBL213201
piperidine-3-yl-methanol
AC-22476
EN300-20659
NS00048825
Z104479614
LF-0536
EINECS 225-013-0
FT-0613787
PB21599
Q-102742
MFCD09751036
rac-3-hydroxymethyl-piperidine
3-(hydroxymethyl)-piperidine
SB42953
(S)-Piperidine-3-methanol
SY067329
3-Piperidinylmethanol
H0737
InChI=1/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
FT-0649811
SB43081
(piperidin-3-yl)methanol
物化性质
实验特性
LogP
0.30710
PSA
32.26
折射率
1.494
沸点
107°C/3.5mmHg(lit.)
熔点
59.0 to 64.0 deg-C
闪点
华氏:>235.4 °F 摄氏:>113 °C
颜色与性状
White to Yellow Solid
溶解性
不确定
敏感性
Hygroscopic
密度
1.026 g/mL at 25 °C(lit.)
计算特性
精确分子量
115.09979
氢键供体数量
2
氢键受体数量
2
可旋转化学键数量
1
同位素质量
115.1
重原子数量
8
复杂度
65.5
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
1
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-0.1
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
32.3A^2
相关文献
1.
Aza-Claisen rearrangement of 2-C-hydroxymethyl glycals as a versatile strategy towards synthesis of isofagomine and related biologically important azasugars
Y. Suman Reddy,Pavan K. Kancharla,Rashmi Roy,Yashwant D. Vankar Org. Biomol. Chem. 2012 10 2760
2.
Aza-Claisen rearrangement of 2-C-hydroxymethyl glycals as a versatile strategy towards synthesis of isofagomine and related biologically important azasugars
Y. Suman Reddy,Pavan K. Kancharla,Rashmi Roy,Yashwant D. Vankar Org. Biomol. Chem. 2012 10 2760
3.
Aza-Claisen rearrangement of 2-C-hydroxymethyl glycals as a versatile strategy towards synthesis of isofagomine and related biologically important azasugars
Y. Suman Reddy,Pavan K. Kancharla,Rashmi Roy,Yashwant D. Vankar Org. Biomol. Chem. 2012 10 2760
4.
Synthesis and evaluation of amide, sulfonamide and urea – benzisoxazole derivatives as potential atypical antipsychotics
Yin Chen,Yu Lan,Xudong Cao,Xiangqing Xu,Juecheng Zhang,Minquan Yu,Xin Liu,Bi-Feng Liu,Guisen Zhang Med. Chem. Commun. 2015 6 831
5.
Peperomin E and its synthetic amino derivatives: potent agents targeting leukaemia stem cells
Ming Gao,Xin-zhi Wang,Ye-ting Shu,Jie Liang,Liang Chen,Rui Liu,Jing-yu Liang,Hong-mei Wen RSC Adv. 2017 7 52200
6.
Integrated CO2 capture and electrochemical upgradation: the underpinning mechanism and techno-chemical analysis
Sandip Kumar De,Dong-Il Won,Jeongwon Kim,Dong Ha Kim Chem. Soc. Rev. 2023 52 5744
7.
Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of α-glucosidase
Ganesh Pandey,Kishor Chandra Bharadwaj,M. Islam Khan,K. S. Shashidhara,Vedavati G. Puranik Org. Biomol. Chem. 2008 6 2587
8.
A new access to polyhydroxy piperidines of the azasugar class: synthesis and glycosidase inhibition studies
Ganesh Pandey,Manmohan Kapur,M. Islam Khan,Sushama M. Gaikwad Org. Biomol. Chem. 2003 1 3321
9.
The influence of the stereochemistry of the nitrogen centre on proton chemical shifts and on 1H–1H and 15N–1H spin–spin coupling in tetrahydro-1,3-oxazines
F. G. Riddell,J. M. Lehn J. Chem. Soc. B 1968 1224
参考资料
Reaxys RN
103058
Beilstein
21(3/4)71
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3-哌啶甲醇
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3-哌啶甲醇(3-羟甲基哌啶)
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