tert-butyl 2,3-diphenylpiperazine-1-carboxylate

tert-butyl 2,3-diphenylpiperazine-1-carboxylate

CAS: 886780-65-0

Formula: C21H26N2O2

SMILES: CC(C)(C)OC(=O)N1CCNC(C1C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: tert-butyl 2,3-diphenylpiperazine-1-carboxylate

InChI: InChI=1/C21H26N2O2/c1-21(2,3)25-20(24)23-15-14-22-18(16-10-6-4-7-11-16)19(23)17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3

Composition: C (74.53%), H (7.74%), N (8.28%), O (9.45%)

Molar Mass: 338.451

Atom Count: 51

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	338.199428085
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AYXUZUABTMGOKA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.01
Topological Polar Surface Area	41.57
Polarizability	39.2
Ring Count	3
Rotatable Bond Count	4

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