1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol

C17H18F2N2O — CID 154502028

IUPAC1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2ccnc(-c3ccccc3F)c2F)CCC1O
InChIInChI=1S/C17H18F2N2O/c1-11-10-21(9-7-15(11)22)14-6-8-20-17(16(14)19)12-4-2-3-5-13(12)18/h2-6,8,11,15,22H,7,9-10H2,1H3
InChIKeyQIODOHLTDXFROY-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.23
Rot. Bonds2

About 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol

1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol (PubChem CID 154502028) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol
PubChem CID154502028
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2ccnc(-c3ccccc3F)c2F)CCC1O
InChIInChI=1S/C17H18F2N2O/c1-11-10-21(9-7-15(11)22)14-6-8-20-17(16(14)19)12-4-2-3-5-13(12)18/h2-6,8,11,15,22H,7,9-10H2,1H3
InChIKeyQIODOHLTDXFROY-UHFFFAOYSA-N
XLogP3.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol (CID 154502028) is 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol is CC1CN(c2ccnc(-c3ccccc3F)c2F)CCC1O.
What is the InChIKey of 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol?
The InChIKey is QIODOHLTDXFROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-11-10-21(9-7-15(11)22)14-6-8-20-17(16(14)19)12-4-2-3-5-13(12)18/h2-6,8,11,15,22H,7,9-10H2,1H3.
What are the key properties of 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol?
1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol has a molecular weight of 304.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 154502028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).