2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine

C18H20F2N2O — CID 25263333

IUPAC2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1OCc1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O/c1-12-16(13-4-7-21-8-5-13)6-9-22-18(12)23-11-14-2-3-15(19)10-17(14)20/h2-3,6,9-10,13,21H,4-5,7-8,11H2,1H3
InChIKeyKKDRVWLFKGXUMG-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.71
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine

2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine (PubChem CID 25263333) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine
PubChem CID25263333
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1OCc1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O/c1-12-16(13-4-7-21-8-5-13)6-9-22-18(12)23-11-14-2-3-15(19)10-17(14)20/h2-3,6,9-10,13,21H,4-5,7-8,11H2,1H3
InChIKeyKKDRVWLFKGXUMG-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
The IUPAC name of 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine (CID 25263333) is 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine is Cc1c(C2CCNCC2)ccnc1OCc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
The InChIKey is KKDRVWLFKGXUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-12-16(13-4-7-21-8-5-13)6-9-22-18(12)23-11-14-2-3-15(19)10-17(14)20/h2-3,6,9-10,13,21H,4-5,7-8,11H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine has a molecular weight of 318.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine is sourced from PubChem (CID 25263333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).