1-tert-butyl 3-methyl (3R,6R)-6-methylpiperazine-1,3-dicarboxylate

1-tert-butyl 3-methyl (3R,6R)-6-methylpiperazine-1,3-dicarboxylate

CAS: 2349395-78-2

Formula: C12H22N2O4

SMILES: COC(=O)[C@H]1CN([C@H](C)CN1)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 3-methyl (3R,6R)-6-methylpiperazine-1,3-dicarboxylate

InChI: InChI=1S/C12H22N2O4/c1-8-6-13-9(10(15)17-5)7-14(8)11(16)18-12(2,3)4/h8-9,13H,6-7H2,1-5H3/t8-,9-/m1/s1

Composition: C (55.80%), H (8.58%), N (10.84%), O (24.77%)

Molar Mass: 258.318

Atom Count: 40

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	258.157957196
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XIHYZZRVLQMHEO-RKDXNWHRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.46
Topological Polar Surface Area	67.87
Polarizability	26.35
Ring Count	1
Rotatable Bond Count	4

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