(3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone

C17H16F2N2O2 — CID 138026745

IUPAC(3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1O)N1CCC(c2ccccn2)CC1
InChIInChI=1S/C17H16F2N2O2/c18-12-9-13(16(22)14(19)10-12)17(23)21-7-4-11(5-8-21)15-3-1-2-6-20-15/h1-3,6,9-11,22H,4-5,7-8H2
InChIKeyNGHYGPOEENGFAC-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.09
Rot. Bonds2

About (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone

(3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 138026745) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID138026745
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name(3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1O)N1CCC(c2ccccn2)CC1
InChIInChI=1S/C17H16F2N2O2/c18-12-9-13(16(22)14(19)10-12)17(23)21-7-4-11(5-8-21)15-3-1-2-6-20-15/h1-3,6,9-11,22H,4-5,7-8H2
InChIKeyNGHYGPOEENGFAC-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone (CID 138026745) is (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone is O=C(c1cc(F)cc(F)c1O)N1CCC(c2ccccn2)CC1.
What is the InChIKey of (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is NGHYGPOEENGFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-12-9-13(16(22)14(19)10-12)17(23)21-7-4-11(5-8-21)15-3-1-2-6-20-15/h1-3,6,9-11,22H,4-5,7-8H2.
What are the key properties of (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone?
(3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 318.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2-hydroxyphenyl)-(4-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 138026745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).