1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol

C16H17FN2O — CID 162057250

IUPAC1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H17FN2O/c17-14-5-1-2-6-15(14)19-10-7-16(20,8-11-19)13-4-3-9-18-12-13/h1-6,9,12,20H,7-8,10-11H2
InChIKeyFIWPVZKEKIHVOL-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.71
Rot. Bonds2

About 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol

1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 162057250) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol
PubChem CID162057250
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H17FN2O/c17-14-5-1-2-6-15(14)19-10-7-16(20,8-11-19)13-4-3-9-18-12-13/h1-6,9,12,20H,7-8,10-11H2
InChIKeyFIWPVZKEKIHVOL-UHFFFAOYSA-N
XLogP2.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol (CID 162057250) is 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol is OC1(c2cccnc2)CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is FIWPVZKEKIHVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-5-1-2-6-15(14)19-10-7-16(20,8-11-19)13-4-3-9-18-12-13/h1-6,9,12,20H,7-8,10-11H2.
What are the key properties of 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol?
1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 272.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 162057250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).