5-formyl-2-(piperidin-1-yl)benzonitrile

5-formyl-2-(piperidin-1-yl)benzonitrile

CAS: 1272756-59-8

Formula: C13H14N2O

SMILES: O=CC1=CC=C(N2CCCCC2)C(=C1)C#N

IUPAC: 5-formyl-2-(piperidin-1-yl)benzonitrile

InChI: InChI=1S/C13H14N2O/c14-9-12-8-11(10-16)4-5-13(12)15-6-2-1-3-7-15/h4-5,8,10H,1-3,6-7H2

Composition: C (72.87%), H (6.59%), N (13.07%), O (7.47%)

Molar Mass: 214.268

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.110613079
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HJWIHIPVFJVJBS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.93
Topological Polar Surface Area	44.1
Polarizability	23.67
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1272756-59-8		$50.44-$119.80$50.44$61.79$119.80