4-{[2-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

4-{[2-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

CAS: 1308627-60-2

Formula: C14H18N2O

SMILES: OCC1CCCCN1CC1=CC=C(C=C1)C#N

IUPAC: 4-{[2-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

InChI: InChI=1/C14H18N2O/c15-9-12-4-6-13(7-5-12)10-16-8-2-1-3-14(16)11-17/h4-7,14,17H,1-3,8,10-11H2

Composition: C (73.01%), H (7.88%), N (12.16%), O (6.95%)

Molar Mass: 230.311

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	230.141913208
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SOHDKKWGVWTHRS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.43
Topological Polar Surface Area	47.26
Polarizability	26.47
Ring Count	2
Rotatable Bond Count	3

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