3-(piperidin-1-ylmethyl)benzonitrile

3-(piperidin-1-ylmethyl)benzonitrile

CAS: 857284-22-1

Formula: C13H16N2

SMILES: N#CC1=CC=CC(CN2CCCCC2)=C1

IUPAC: 3-[(piperidin-1-yl)methyl]benzonitrile

InChI: InChI=1S/C13H16N2/c14-10-12-5-4-6-13(9-12)11-15-7-2-1-3-8-15/h4-6,9H,1-3,7-8,11H2

Composition: C (77.96%), H (8.05%), N (13.99%)

Molar Mass: 200.285

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.131348523
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KLEDWGWXCBQZJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.46
Topological Polar Surface Area	27.03
Polarizability	24.03
Ring Count	2
Rotatable Bond Count	2

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