Vofopitant
(2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
Molecular Identity
Vofopitant
(2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID: 6918331
2D Structure
Properties
C21H23F3N6O
Molecular Formula
432.40
Molecular Weight
g/mol
432.1885
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
76.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
562
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CNC3CCCNC3C4=CC=CC=C4Isomeric SMILES
SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4Synonyms(20)
Vofopitant168266-90-8GR205171GR-205171K08BK043YS(2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amineDTXSID10870099GR 205171N-((2-Methoxy-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)phenyl)methyl)-2-phenyl-3-piperidinamine(2S,3S)-3-((2-Methoxy-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)benzyl)amino)-2-phenylpiperidinevofopitantum(2S,3S)-N-((2-methoxy-5-(5-(trifluoromethyl)tetrazol-1-yl)phenyl)methyl)-2-phenylpiperidin-3-amineRefChem:194607DTXCID401511189(2S,3S)-N-((2-methoxy-5-(5-(trifluoromethyl)-1H-1,2,3,4-tetrazol-1-yl)phenyl)methyl)-2-phenylpiperidin-3-amine
Data from PubChem (NCBI)
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