1-tert-butyl 3-methyl (3R)-piperazine-1,3-dicarboxylate hydrochloride

1-tert-butyl 3-methyl (3R)-piperazine-1,3-dicarboxylate hydrochloride

CAS: 1251903-83-9

Formula: C11H21ClN2O4

SMILES: Cl.COC(=O)[C@H]1CN(CCN1)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 3-methyl (3R)-piperazine-1,3-dicarboxylate hydrochloride

InChI: InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4;/h8,12H,5-7H2,1-4H3;1H/t8-;/m1./s1

Composition: C (47.06%), H (7.54%), Cl (12.63%), N (9.98%), O (22.79%)

Molar Mass: 280.75

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	280.1189849
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MEZKKNPBRVNHQT-DDWIOCJRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.04
Topological Polar Surface Area	67.87
Polarizability	24.53
Ring Count	1
Rotatable Bond Count	4

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