tert-butyl N-(1-benzyl-3-cyanopiperidin-4-yl)carbamate

tert-butyl N-(1-benzyl-3-cyanopiperidin-4-yl)carbamate

CAS: 2065250-51-1

Formula: C18H25N3O2

SMILES: CC(C)(C)OC(=O)NC1CCN(CC2=CC=CC=C2)CC1C#N

IUPAC: tert-butyl N-(1-benzyl-3-cyanopiperidin-4-yl)carbamate

InChI: InChI=1/C18H25N3O2/c1-18(2,3)23-17(22)20-16-9-10-21(13-15(16)11-19)12-14-7-5-4-6-8-14/h4-8,15-16H,9-10,12-13H2,1-3H3,(H,20,22)

Composition: C (68.54%), H (7.99%), N (13.32%), O (10.14%)

Molar Mass: 315.417

Atom Count: 48

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	315.194677057
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BFTGPOIQJWKWKB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.81
Topological Polar Surface Area	65.36
Polarizability	34.96
Ring Count	2
Rotatable Bond Count	5

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