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51135-96-7 | 4-Benzylpiperidin-4-ol
CAS No: 51135-96-7 Catalog No: AG003KTZ MDL No:MFCD00023147
Product Description
Catalog Number:
AG003KTZ
Chemical Name:
4-Benzylpiperidin-4-ol
CAS Number:
51135-96-7
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD00023147
IUPAC Name:
4-benzylpiperidin-4-ol
InChI:
InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChI Key:
KJZBZOFESQSBCV-UHFFFAOYSA-N
SMILES:
OC1(CCNCC1)Cc1ccccc1
EC Number:
257-003-7
NSC Number:
83237
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| 2-Aryl indole NK(1) antagonists: optimisation of the amide substituent. | Bioorganic & medicinal chemistry letters 20011203 |
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