1-benzyl 2-methyl (2S)-piperazine-1,2-dicarboxylate

1-benzyl 2-methyl (2S)-piperazine-1,2-dicarboxylate

CAS: 314741-63-4

Formula: C14H18N2O4

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

IUPAC: 1-benzyl 2-methyl (2S)-piperazine-1,2-dicarboxylate

InChI: InChI=1S/C14H18N2O4/c1-19-13(17)12-9-15-7-8-16(12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3/t12-/m0/s1

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 278.308

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	278.126657068
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HOLPEQRNMJTIIX-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.85
Topological Polar Surface Area	67.87
Polarizability	28.55
Ring Count	2
Rotatable Bond Count	5

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95%	<5 Days	314741-63-4		$646.00-$5,880.00$646.00$2,100.00$5,880.00