1-benzyl-4-hydroxypiperidine-4-carbonitrile

1-benzyl-4-hydroxypiperidine-4-carbonitrile

CAS: 6094-60-6

Formula: C13H16N2O

SMILES: OC1(CCN(CC2=CC=CC=C2)CC1)C#N

IUPAC: 1-benzyl-4-hydroxypiperidine-4-carbonitrile

InChI: InChI=1S/C13H16N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-10H2

Composition: C (72.19%), H (7.46%), N (12.95%), O (7.40%)

Molar Mass: 216.284

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.126263143
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XQRLXUYZKZXSBN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.43
Topological Polar Surface Area	47.26
Polarizability	24.48
Ring Count	2
Rotatable Bond Count	2

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