2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol

C16H16F2N2O — CID 122186017

IUPAC2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol
SMILESOc1c(F)cc(-c2cnccc2C2CCNCC2)cc1F
InChIInChI=1S/C16H16F2N2O/c17-14-7-11(8-15(18)16(14)21)13-9-20-6-3-12(13)10-1-4-19-5-2-10/h3,6-10,19,21H,1-2,4-5H2
InChIKeyOGRWLDHVLHSNOM-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.20
Rot. Bonds2

About 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol

2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol (PubChem CID 122186017) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol
PubChem CID122186017
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol
SMILESOc1c(F)cc(-c2cnccc2C2CCNCC2)cc1F
InChIInChI=1S/C16H16F2N2O/c17-14-7-11(8-15(18)16(14)21)13-9-20-6-3-12(13)10-1-4-19-5-2-10/h3,6-10,19,21H,1-2,4-5H2
InChIKeyOGRWLDHVLHSNOM-UHFFFAOYSA-N
XLogP3.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol 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 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol?
The IUPAC name of 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol (CID 122186017) is 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol.
What is the SMILES notation for 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol?
The canonical SMILES for 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol is Oc1c(F)cc(-c2cnccc2C2CCNCC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol?
The InChIKey is OGRWLDHVLHSNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-14-7-11(8-15(18)16(14)21)13-9-20-6-3-12(13)10-1-4-19-5-2-10/h3,6-10,19,21H,1-2,4-5H2.
What are the key properties of 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol?
2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol has a molecular weight of 290.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol is sourced from PubChem (CID 122186017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).