1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine

C13H17F2N — CID 870766

IUPAC1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C13H17F2N/c1-10-5-7-16(8-6-10)9-11-12(14)3-2-4-13(11)15/h2-4,10H,5-9H2,1H3
InChIKeyUNIXPJVWWIYFKO-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.20
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine

1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine (PubChem CID 870766) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine
PubChem CID870766
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C13H17F2N/c1-10-5-7-16(8-6-10)9-11-12(14)3-2-4-13(11)15/h2-4,10H,5-9H2,1H3
InChIKeyUNIXPJVWWIYFKO-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine (CID 870766) is 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine is CC1CCN(Cc2c(F)cccc2F)CC1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine?
The InChIKey is UNIXPJVWWIYFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-10-5-7-16(8-6-10)9-11-12(14)3-2-4-13(11)15/h2-4,10H,5-9H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine?
1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine has a molecular weight of 225.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 870766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).