tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate

tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate

CAS: 218451-34-4

Formula: C17H21ClN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C1=CC=C(Cl)C=C1

IUPAC: tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate

InChI: InChI=1S/C17H21ClN2O2/c1-16(2,3)22-15(21)20-10-8-17(12-19,9-11-20)13-4-6-14(18)7-5-13/h4-7H,8-11H2,1-3H3

Composition: C (63.65%), H (6.60%), Cl (11.05%), N (8.73%), O (9.97%)

Molar Mass: 320.82

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	320.1291556
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GAAZJKMOIVSYQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.45
Topological Polar Surface Area	53.33
Polarizability	33.47
Ring Count	2
Rotatable Bond Count	3

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