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1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid

1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid

CAS: 733798-69-1

Formula: C13H16ClNO2

SMILES: OC(=O)C1CCN(CC2=CC=C(Cl)C=C2)CC1

IUPAC: 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid

InChI: InChI=1S/C13H16ClNO2/c14-12-3-1-10(2-4-12)9-15-7-5-11(6-8-15)13(16)17/h1-4,11H,5-9H2,(H,16,17)

Composition: C (61.54%), H (6.36%), Cl (13.97%), N (5.52%), O (12.61%)

Molar Mass: 253.73

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.0869565
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FCNZWHCTMHUWMT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.79
Topological Polar Surface Area 40.54
Polarizability 26.4
Ring Count 2
Rotatable Bond Count 3

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