1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylic acid hydrochloride

1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylic acid hydrochloride

CAS: 1185299-43-7

Formula: C13H16Cl2FNO2

SMILES: Cl.OC(=O)C1CCCN(CC2=C(Cl)C=CC=C2F)C1

IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylic acid hydrochloride

InChI: InChI=1/C13H15ClFNO2.ClH/c14-11-4-1-5-12(15)10(11)8-16-6-2-3-9(7-16)13(17)18;/h1,4-5,9H,2-3,6-8H2,(H,17,18);1H

Composition: C (50.67%), H (5.23%), Cl (23.01%), F (6.16%), N (4.55%), O (10.38%)

Molar Mass: 308.17

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	307.0542123
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KJMRTMSIJHZBNY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.85
Topological Polar Surface Area	40.54
Polarizability	26.13
Ring Count	2
Rotatable Bond Count	3

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