4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine

C18H20F2N2O — CID 10236665

IUPAC4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine
SMILESFc1cc(F)cc(C2CNCC(COCc3ccncc3)C2)c1
InChIInChI=1S/C18H20F2N2O/c19-17-6-15(7-18(20)8-17)16-5-14(9-22-10-16)12-23-11-13-1-3-21-4-2-13/h1-4,6-8,14,16,22H,5,9-12H2
InChIKeySRLSFSNXOCKBFT-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.27
Rot. Bonds5

About 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine

4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine (PubChem CID 10236665) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine.

Molecular Properties

Compound Name4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine
PubChem CID10236665
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine
SMILESFc1cc(F)cc(C2CNCC(COCc3ccncc3)C2)c1
InChIInChI=1S/C18H20F2N2O/c19-17-6-15(7-18(20)8-17)16-5-14(9-22-10-16)12-23-11-13-1-3-21-4-2-13/h1-4,6-8,14,16,22H,5,9-12H2
InChIKeySRLSFSNXOCKBFT-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine 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 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine?
The IUPAC name of 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine (CID 10236665) is 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine.
What is the SMILES notation for 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine?
The canonical SMILES for 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine is Fc1cc(F)cc(C2CNCC(COCc3ccncc3)C2)c1.
What is the InChIKey of 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine?
The InChIKey is SRLSFSNXOCKBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-17-6-15(7-18(20)8-17)16-5-14(9-22-10-16)12-23-11-13-1-3-21-4-2-13/h1-4,6-8,14,16,22H,5,9-12H2.
What are the key properties of 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine?
4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine has a molecular weight of 318.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,5-difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine is sourced from PubChem (CID 10236665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).