ethyl 1-(cyanomethyl)piperidine-4-carboxylate

ethyl 1-(cyanomethyl)piperidine-4-carboxylate

CAS: 460094-92-2

Formula: C10H16N2O2

SMILES: CCOC(=O)C1CCN(CC#N)CC1

IUPAC: ethyl 1-(cyanomethyl)piperidine-4-carboxylate

InChI: InChI=1S/C10H16N2O2/c1-2-14-10(13)9-3-6-12(7-4-9)8-5-11/h9H,2-4,6-8H2,1H3

Composition: C (61.20%), H (8.22%), N (14.27%), O (16.30%)

Molar Mass: 196.25

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	196.121177763
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FQXSZQCXVCEMJN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.95
Topological Polar Surface Area	53.33
Polarizability	20.57
Ring Count	1
Rotatable Bond Count	4

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