ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate

ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate

CAS: 123730-67-6

Formula: C16H20N2O2

SMILES: CCOC(=O)C1(CCN(CC2=CC=CC=C2)CC1)C#N

IUPAC: ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate

InChI: InChI=1S/C16H20N2O2/c1-2-20-15(19)16(13-17)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3

Composition: C (70.56%), H (7.40%), N (10.29%), O (11.75%)

Molar Mass: 272.348

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.152477892
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FPMGPVRBKDTWFD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.7
Topological Polar Surface Area	53.33
Polarizability	30.14
Ring Count	2
Rotatable Bond Count	5

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