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tert-butyl (2S,5R)-5-ethyl-2-methylpiperazine-1-carboxylate

tert-butyl (2S,5R)-5-ethyl-2-methylpiperazine-1-carboxylate

CAS: 906559-60-2

Formula: C12H24N2O2

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

IUPAC: tert-butyl (2S,5R)-5-ethyl-2-methylpiperazine-1-carboxylate

InChI: InChI=1S/C12H24N2O2/c1-6-10-8-14(9(2)7-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t9-,10+/m0/s1

Composition: C (63.12%), H (10.59%), N (12.27%), O (14.01%)

Molar Mass: 228.336

Atom Count: 40

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 228.183778021
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YZHZLLZTMYDRLG-VHSXEESVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.81
Topological Polar Surface Area 41.57
Polarizability 25.53
Ring Count 1
Rotatable Bond Count 3

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