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

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

CAS: 1240585-94-7

Formula: C13H26N2O2

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

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

InChI: InChI=1S/C13H26N2O2/c1-6-10-9-15(11(7-2)8-14-10)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t10-,11+/m1/s1

Composition: C (64.43%), H (10.81%), N (11.56%), O (13.20%)

Molar Mass: 242.363

Atom Count: 43

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 242.199428085
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CDKIKMMLXSNKCO-MNOVXSKESA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.33
Topological Polar Surface Area 41.57
Polarizability 27.37
Ring Count 1
Rotatable Bond Count 4

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