2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline

C13H18F2N2 — CID 62655067

IUPAC2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CNc2c(F)cccc2F)CC1
InChIInChI=1S/C13H18F2N2/c1-17-7-5-10(6-8-17)9-16-13-11(14)3-2-4-12(13)15/h2-4,10,16H,5-9H2,1H3
InChIKeyKINLOTOHNZOKNK-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.72
Rot. Bonds3

About 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline

2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 62655067) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID62655067
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CNc2c(F)cccc2F)CC1
InChIInChI=1S/C13H18F2N2/c1-17-7-5-10(6-8-17)9-16-13-11(14)3-2-4-12(13)15/h2-4,10,16H,5-9H2,1H3
InChIKeyKINLOTOHNZOKNK-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 83076576
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066
2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 112606713
4-chloro-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658637
(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
2-bromo-6-fluoro-N-(oxan-4-ylmethyl)aniline
CID 104626192
N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline
CID 62655952
2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
CID 105479556
6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
CID 80647279
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 62655067) is 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline is CN1CCC(CNc2c(F)cccc2F)CC1.
What is the InChIKey of 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is KINLOTOHNZOKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17-7-5-10(6-8-17)9-16-13-11(14)3-2-4-12(13)15/h2-4,10,16H,5-9H2,1H3.
What are the key properties of 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline?
2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 240.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 62655067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).