tert-butyl (2S)-2-benzylpiperazine-1-carboxylate

tert-butyl (2S)-2-benzylpiperazine-1-carboxylate

CAS: 169447-86-3

Formula: C16H24N2O2

SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1CC1=CC=CC=C1

IUPAC: tert-butyl (2S)-2-benzylpiperazine-1-carboxylate

InChI: InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1

Composition: C (69.53%), H (8.75%), N (10.14%), O (11.58%)

Molar Mass: 276.38

Atom Count: 44

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	276.183778021
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QKUHUJCLUFLGCI-AWEZNQCLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.48
Topological Polar Surface Area	41.57
Polarizability	31.44
Ring Count	2
Rotatable Bond Count	4

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