Chem
J-GLOBAL ID：200907042549928786
Nikkaji number：J1.509.642J
(3S)-1,4-Diphenyl-2-benzyl-3-piperidino-2-butanol
(3S)-1,4-ジフェニル-2-ベンジル-3-ピペリジノ-2-ブタノール
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
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
Molecular formula： C28H33NO
Molecular formula furigana： C28-H33-N-O
Molecular weight： 399.578
InChI：
InChI=1S/C28H33NO/c30-28(22-25-15-7-2-8-16-25,23-26-17-9-3-10-18-26)27(29-19-11-4-12-20-29)21-24-13-5-1-6-14-24/h1-3,5-10,13-18,27,30H,4,11-12,19-23H2/t27-/m0/s1
InChI key：
WEBPOHCMLWIDKJ-MHZLTWQESA-N
SMILES：
OC(Cc1ccccc1)(Cc1ccccc1)[C@H](Cc1ccccc1)N1CCCCC1
Systematic name (3)：
- (3S)-1,4-ジフェニル-2-ベンジル-3-ピペリジノ-2-ブタノール
- (3S)-2-ベンジル-1,4-ジフェニル-3-(ピペリジン-1-イル)ブタン-2-オール
- (3S)-2-benzyl-1,4-diphenyl-3-(piperidin-1-yl)butan-2-ol
- (3S)-1,4-Diphenyl-2-benzyl-3-piperidino-2-butanol
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