4-phenylpiperidine-4-carbonitrile hydrochloride

4-phenylpiperidine-4-carbonitrile hydrochloride

CAS: 51304-58-6

Formula: C12H15ClN2

SMILES: Cl.N#CC1(CCNCC1)C1=CC=CC=C1

IUPAC: 4-phenylpiperidine-4-carbonitrile hydrochloride

InChI: InChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H

Composition: C (64.72%), H (6.79%), Cl (15.92%), N (12.58%)

Molar Mass: 222.72

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.0923762
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CQPHZBOPSZGTJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.65
Topological Polar Surface Area	35.82
Polarizability	22.03
Ring Count	2
Rotatable Bond Count	1

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