benzyl (3R)-3-methylpiperazine-1-carboxylate

benzyl (3R)-3-methylpiperazine-1-carboxylate

CAS: 623586-00-5

Formula: C13H18N2O2

SMILES: C[C@@H]1CN(CCN1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (3R)-3-methylpiperazine-1-carboxylate

InChI: InChI=1S/C13H18N2O2/c1-11-9-15(8-7-14-11)13(16)17-10-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-/m1/s1

Composition: C (66.64%), H (7.74%), N (11.96%), O (13.66%)

Molar Mass: 234.299

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	234.136827828
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JRPIQMPFKMFAOX-LLVKDONJSA-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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