Chem
J-GLOBAL ID:201507051312713650   Nikkaji number:J3.357.069D

3β,5β-Diisobutyl-4-(4-methoxyphenyl)-6β-isopropylpiperazine-2-one

3β,5β-ジイソブチル-4-(4-メトキシフェニル)-6β-イソプロピルピペラジン-2-オン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C22H36N2O2
Molecular formula furigana: C22-H36-N2-O2
Molecular weight: 360.542
InChI: InChI=1S/C22H36N2O2/c1-14(2)12-19-21(16(5)6)23-22(25)20(13-15(3)4)24(19)17-8-10-18(26-7)11-9-17/h8-11,14-16,19-21H,12-13H2,1-7H3,(H,23,25)/t19-,20+,21+/m0/s1
InChI key: KSCBPLQNFYCJRO-PWRODBHTSA-N
SMILES: COc1ccc(cc1)N1[C@@H](CC(C)C)[C@H](NC(=O)[C@H]1CC(C)C)C(C)C
Systematic name  (3):
  • 3β,5β-ジイソブチル-4-(4-メトキシフェニル)-6β-イソプロピルピペラジン-2-オン
  • (3R,5S,6R)-4-(4-メトキシフェニル)-3,5-ビス(2-メチルプロピル)-6-(プロパン-2-イル)ピペラジン-2-オン
  • (3R,5S,6R)-4-(4-methoxyphenyl)-3,5-bis(2-methylpropyl)-6-(propan-2-yl)piperazin-2-one
Other name (1):
  • 3β,5β-Diisobutyl-4-(4-methoxyphenyl)-6β-isopropylpiperazine-2-one
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