tert-butyl (2S)-4-benzyl-2-formylpiperazine-1-carboxylate

tert-butyl (2S)-4-benzyl-2-formylpiperazine-1-carboxylate

CAS: 947275-36-7

Formula: C17H24N2O3

SMILES: CC(C)(C)OC(=O)N1CCN(CC2=CC=CC=C2)C[C@H]1C=O

IUPAC: tert-butyl (2S)-4-benzyl-2-formylpiperazine-1-carboxylate

InChI: InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-10-9-18(12-15(19)13-20)11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t15-/m0/s1

Composition: C (67.08%), H (7.95%), N (9.20%), O (15.77%)

Molar Mass: 304.39

Atom Count: 46

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	304.178692641
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BHZMIMWLXCEQDL-HNNXBMFYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.26
Topological Polar Surface Area	49.85
Polarizability	33.35
Ring Count	2
Rotatable Bond Count	5

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