1-benzylpiperidine-3-carboxylic acid hydrochloride

1-benzylpiperidine-3-carboxylic acid hydrochloride

CAS: 50585-92-7

Formula: C13H18ClNO2

SMILES: Cl.OC(=O)C1CCCN(CC2=CC=CC=C2)C1

IUPAC: 1-benzylpiperidine-3-carboxylic acid hydrochloride

InChI: InChI=1/C13H17NO2.ClH/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10H2,(H,15,16);1H

Composition: C (61.05%), H (7.09%), Cl (13.86%), N (5.48%), O (12.51%)

Molar Mass: 255.74

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 255.1026065
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GDQLYIBFDWPBDT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.83
Topological Polar Surface Area 40.54
Polarizability 24.52
Ring Count 2
Rotatable Bond Count 3

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