tert-butyl (2S)-4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate

tert-butyl (2S)-4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate

CAS: 947275-34-5

Formula: C17H26N2O3

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

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

InChI: InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-10-9-18(12-15(19)13-20)11-14-7-5-4-6-8-14/h4-8,15,20H,9-13H2,1-3H3/t15-/m0/s1

Composition: C (66.64%), H (8.55%), N (9.14%), O (15.66%)

Molar Mass: 306.406

Atom Count: 48

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	306.194342705
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YFBKIGOBELWXJV-HNNXBMFYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.31
Topological Polar Surface Area	53.01
Polarizability	33.9
Ring Count	2
Rotatable Bond Count	5

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