2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone

C26H25F2NO2 — CID 6734380

IUPAC2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25F2NO2/c27-23-12-11-19(17-24(23)28)18-25(30)29-15-13-22(14-16-29)26(31,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,22,31H,13-16,18H2
InChIKeyXQGCOMLHNVEQHU-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.68
Rot. Bonds5

About 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone

2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 6734380) has the molecular formula C26H25F2NO2 and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
PubChem CID6734380
Molecular FormulaC26H25F2NO2
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25F2NO2/c27-23-12-11-19(17-24(23)28)18-25(30)29-15-13-22(14-16-29)26(31,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,22,31H,13-16,18H2
InChIKeyXQGCOMLHNVEQHU-UHFFFAOYSA-N
XLogP4.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 49861348
CID 49861348
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
Loperamide hydrochloride specified impurity D
CID 3705191
4-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butyramide
CID 10052051
1-(4-Fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 13277350
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885323
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885324
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885325
((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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone (CID 6734380) is 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone is O=C(Cc1ccc(F)c(F)c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is XQGCOMLHNVEQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO2/c27-23-12-11-19(17-24(23)28)18-25(30)29-15-13-22(14-16-29)26(31,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,22,31H,13-16,18H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone?
2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 421.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 6734380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).