2-(4-hydroxypiperidin-1-yl)benzonitrile

2-(4-hydroxypiperidin-1-yl)benzonitrile

CAS: 887593-80-8

Formula: C12H14N2O

SMILES: OC1CCN(CC1)C1=C(C=CC=C1)C#N

IUPAC: 2-(4-hydroxypiperidin-1-yl)benzonitrile

InChI: InChI=1S/C12H14N2O/c13-9-10-3-1-2-4-12(10)14-7-5-11(15)6-8-14/h1-4,11,15H,5-8H2

Composition: C (71.26%), H (6.98%), N (13.85%), O (7.91%)

Molar Mass: 202.257

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.110613079
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IRTMFHCRDVPCRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.93
Topological Polar Surface Area	47.26
Polarizability	22.4
Ring Count	2
Rotatable Bond Count	1

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95%	<5 Days	887593-80-8		$1,860.00-$3,300.00$1,860.00$2,530.00$3,300.00