4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol

C17H19FN2O — CID 3228767

IUPAC4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H19FN2O/c18-16-5-3-15(4-6-16)17(21)7-10-20(11-8-17)13-14-2-1-9-19-12-14/h1-6,9,12,21H,7-8,10-11,13H2
InChIKeyVOBOMVFWMDLLDR-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.70
Rot. Bonds3

About 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol

4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol (PubChem CID 3228767) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol
PubChem CID3228767
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H19FN2O/c18-16-5-3-15(4-6-16)17(21)7-10-20(11-8-17)13-14-2-1-9-19-12-14/h1-6,9,12,21H,7-8,10-11,13H2
InChIKeyVOBOMVFWMDLLDR-UHFFFAOYSA-N
XLogP2.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol (CID 3228767) is 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol is OC1(c2ccc(F)cc2)CCN(Cc2cccnc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol?
The InChIKey is VOBOMVFWMDLLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-16-5-3-15(4-6-16)17(21)7-10-20(11-8-17)13-14-2-1-9-19-12-14/h1-6,9,12,21H,7-8,10-11,13H2.
What are the key properties of 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol?
4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol has a molecular weight of 286.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 3228767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).