benzyl 3-cyanopiperidine-1-carboxylate

benzyl 3-cyanopiperidine-1-carboxylate

CAS: 885069-22-7

Formula: C14H16N2O2

SMILES: O=C(OCC1=CC=CC=C1)N1CCCC(C1)C#N

IUPAC: benzyl 3-cyanopiperidine-1-carboxylate

InChI: InChI=1/C14H16N2O2/c15-9-13-7-4-8-16(10-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2

Composition: C (68.83%), H (6.60%), N (11.47%), O (13.10%)

Molar Mass: 244.294

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	244.121177763
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GTUBNUQWSDFBEE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.7
Topological Polar Surface Area	53.33
Polarizability	26.07
Ring Count	2
Rotatable Bond Count	3

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