(2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone

C17H16F2N2O2 — CID 650334

IUPAC(2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C17H16F2N2O2/c18-13-4-1-5-14(19)15(13)16(22)21-9-6-17(23,7-10-21)12-3-2-8-20-11-12/h1-5,8,11,23H,6-7,9-10H2
InChIKeyKWLFCXYTYHLZRR-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.48
Rot. Bonds2

About (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone

(2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 650334) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID650334
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name(2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C17H16F2N2O2/c18-13-4-1-5-14(19)15(13)16(22)21-9-6-17(23,7-10-21)12-3-2-8-20-11-12/h1-5,8,11,23H,6-7,9-10H2
InChIKeyKWLFCXYTYHLZRR-UHFFFAOYSA-N
XLogP2.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone (CID 650334) is (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1c(F)cccc1F)N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is KWLFCXYTYHLZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-13-4-1-5-14(19)15(13)16(22)21-9-6-17(23,7-10-21)12-3-2-8-20-11-12/h1-5,8,11,23H,6-7,9-10H2.
What are the key properties of (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
(2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 318.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 650334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).