tert-butyl 4-[(2-cyanophenyl)methyl]piperazine-1-carboxylate

tert-butyl 4-[(2-cyanophenyl)methyl]piperazine-1-carboxylate

CAS: 2703756-90-3

Formula: C17H23N3O2

SMILES: CC(C)(C)OC(=O)N1CCN(CC2=CC=CC=C2C#N)CC1

IUPAC: tert-butyl 4-[(2-cyanophenyl)methyl]piperazine-1-carboxylate

InChI: InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-10-8-19(9-11-20)13-15-7-5-4-6-14(15)12-18/h4-7H,8-11,13H2,1-3H3

Composition: C (67.75%), H (7.69%), N (13.94%), O (10.62%)

Molar Mass: 301.39

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	301.179026993
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GJMBMBGKTVAUMR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.07
Topological Polar Surface Area	56.57
Polarizability	33.27
Ring Count	2
Rotatable Bond Count	4

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