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162240-92-8 | 2-Piperazinone, 3,5-dimethyl-1-(phenylmethyl)-, (3R,5R)-
CAS No: 162240-92-8 Catalog No: AG001SX1 MDL No:
Product Description
Catalog Number:
AG001SX1
Chemical Name:
2-Piperazinone, 3,5-dimethyl-1-(phenylmethyl)-, (3R,5R)-
CAS Number:
162240-92-8
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
(3R,5R)-1-benzyl-3,5-dimethylpiperazin-2-one
InChI:
InChI=1S/C13H18N2O/c1-10-8-15(13(16)11(2)14-10)9-12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3/t10-,11-/m1/s1
InChI Key:
GYDZGFZXQCOKRU-GHMZBOCLSA-N
SMILES:
C[C@H]1N[C@H](C)C(=O)N(C1)Cc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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