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

C13H18F2N2 — CID 62655066

IUPAC2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2/c1-17-8-3-2-5-10(17)9-16-13-11(14)6-4-7-12(13)15/h4,6-7,10,16H,2-3,5,8-9H2,1H3
InChIKeyAICRECCSUMGVJL-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.86
Rot. Bonds3

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

2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline (PubChem CID 62655066) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
PubChem CID62655066
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2/c1-17-8-3-2-5-10(17)9-16-13-11(14)6-4-7-12(13)15/h4,6-7,10,16H,2-3,5,8-9H2,1H3
InChIKeyAICRECCSUMGVJL-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62654307
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
3-amino-2-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 112578645
2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655067
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
2,4-difluoro-N-[(1-methylpiperidin-2-yl)methyl]-6-nitroaniline
CID 81310749
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179
2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 63038399
2,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83953736
3-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106022154

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline (CID 62655066) is 2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline is CN1CCCCC1CNc1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is AICRECCSUMGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17-8-3-2-5-10(17)9-16-13-11(14)6-4-7-12(13)15/h4,6-7,10,16H,2-3,5,8-9H2,1H3.
What are the key properties of 2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline?
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 240.30 g/mol, XLogP of 2.86, 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-2-yl)methyl]aniline is sourced from PubChem (CID 62655066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).