4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

C30H33F3N2O2 — CID 10052051

IUPAC4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33F3N2O2/c1-34(2)27(36)29(23-10-5-3-6-11-23,24-12-7-4-8-13-24)18-21-35-19-16-28(37,17-20-35)25-14-9-15-26(22-25)30(31,32)33/h3-15,22,37H,16-21H2,1-2H3
InChIKeyDAINDKBEXIHNNO-UHFFFAOYSA-N
MW510.60 g/mol
LogP5.45
Rot. Bonds7

About 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (PubChem CID 10052051) has the molecular formula C30H33F3N2O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.

Molecular Properties

Compound Name4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
PubChem CID10052051
Molecular FormulaC30H33F3N2O2
Molecular Weight510.60 g/mol
Exact Mass510.25
IUPAC Name4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33F3N2O2/c1-34(2)27(36)29(23-10-5-3-6-11-23,24-12-7-4-8-13-24)18-21-35-19-16-28(37,17-20-35)25-14-9-15-26(22-25)30(31,32)33/h3-15,22,37H,16-21H2,1-2H3
InChIKeyDAINDKBEXIHNNO-UHFFFAOYSA-N
XLogP5.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Loperamide
CID 3955
Loperamide Hydrochloride
CID 71420
Fluperamide
CID 131534
CID 49861348
CID 49861348
Loperamide hydrochloride specified impurity D
CID 3705191
Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-
CID 11328898
4-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-2,2-diphenyl-butyric acid methyl ester
CID 10413540
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrrolidin-3-yl)((3S,4R,5R)-4-(2,4-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885622
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885759
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(2,6-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885760
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(2,4-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885761
((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885863

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The IUPAC name of 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (CID 10052051) is 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.
What is the SMILES notation for 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The canonical SMILES for 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is CN(C)C(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The InChIKey is DAINDKBEXIHNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N2O2/c1-34(2)27(36)29(23-10-5-3-6-11-23,24-12-7-4-8-13-24)18-21-35-19-16-28(37,17-20-35)25-14-9-15-26(22-25)30(31,32)33/h3-15,22,37H,16-21H2,1-2H3.
What are the key properties of 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide has a molecular weight of 510.60 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is sourced from PubChem (CID 10052051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).