2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine

C22H27FN2O — CID 95810440

IUPAC2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine
SMILESFc1ccc(Cc2cccc(C3CCN(C4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C22H27FN2O/c23-19-6-4-17(5-7-19)16-20-2-1-3-22(24-20)18-8-12-25(13-9-18)21-10-14-26-15-11-21/h1-7,18,21H,8-16H2
InChIKeyWXLWXXSOCBZWHV-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.17
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine

2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine (PubChem CID 95810440) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine
PubChem CID95810440
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine
SMILESFc1ccc(Cc2cccc(C3CCN(C4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C22H27FN2O/c23-19-6-4-17(5-7-19)16-20-2-1-3-22(24-20)18-8-12-25(13-9-18)21-10-14-26-15-11-21/h1-7,18,21H,8-16H2
InChIKeyWXLWXXSOCBZWHV-UHFFFAOYSA-N
XLogP4.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine (CID 95810440) is 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine is Fc1ccc(Cc2cccc(C3CCN(C4CCOCC4)CC3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine?
The InChIKey is WXLWXXSOCBZWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-19-6-4-17(5-7-19)16-20-2-1-3-22(24-20)18-8-12-25(13-9-18)21-10-14-26-15-11-21/h1-7,18,21H,8-16H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine?
2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine has a molecular weight of 354.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine is sourced from PubChem (CID 95810440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).