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benzyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride

benzyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride

CAS: 1217720-49-4

Formula: C13H19ClN2O2

SMILES: Cl.C[C@H]1CNCCN1C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride

InChI: InChI=1S/C13H18N2O2.ClH/c1-11-9-14-7-8-15(11)13(16)17-10-12-5-3-2-4-6-12;/h2-6,11,14H,7-10H2,1H3;1H/t11-;/m0./s1

Composition: C (57.67%), H (7.07%), Cl (13.09%), N (10.35%), O (11.82%)

Molar Mass: 270.76

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 270.1135056
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WQPQNIUAWYRGJF-MERQFXBCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.67
Topological Polar Surface Area 41.57
Polarizability 25.91
Ring Count 2
Rotatable Bond Count 3

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