1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C18H18F4N2O — CID 56914563

IUPAC1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ncccc2F)CC1
InChIInChI=1S/C18H18F4N2O/c19-15-5-2-8-23-16(15)12-24-9-6-17(25,7-10-24)13-3-1-4-14(11-13)18(20,21)22/h1-5,8,11,25H,6-7,9-10,12H2
InChIKeyZZRSQTFQJPIDNM-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.72
Rot. Bonds3

About 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 56914563) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID56914563
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ncccc2F)CC1
InChIInChI=1S/C18H18F4N2O/c19-15-5-2-8-23-16(15)12-24-9-6-17(25,7-10-24)13-3-1-4-14(11-13)18(20,21)22/h1-5,8,11,25H,6-7,9-10,12H2
InChIKeyZZRSQTFQJPIDNM-UHFFFAOYSA-N
XLogP3.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

SR2211
CID 51035449
Pirmenol
CID 65502
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
Doxylamine alcohol
CID 86883
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
Pirmenol Hydrochloride
CID 65501
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
3-(4-Pyridin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol
CID 9838609
(+)-5-Hydroxy-3-piperidin-1-yl-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-9-carbonitrile
CID 10313748

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 56914563) is 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ncccc2F)CC1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is ZZRSQTFQJPIDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O/c19-15-5-2-8-23-16(15)12-24-9-6-17(25,7-10-24)13-3-1-4-14(11-13)18(20,21)22/h1-5,8,11,25H,6-7,9-10,12H2.
What are the key properties of 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 354.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 56914563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).