2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline

C13H18F2N2 — CID 62654307

IUPAC2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2/c1-17-7-3-2-4-11(17)9-16-13-8-10(14)5-6-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyDQZIOOAPICXHOA-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.86
Rot. Bonds3

About 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline

2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline (PubChem CID 62654307) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
PubChem CID62654307
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2/c1-17-7-3-2-4-11(17)9-16-13-8-10(14)5-6-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyDQZIOOAPICXHOA-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

2,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83953736
2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 63038399
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
5-fluoro-2-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 63672584
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066
2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62654717
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545
4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 55099801
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62416863
5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026754
2-amino-3-fluoro-6-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106019666

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline (CID 62654307) is 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline is CN1CCCCC1CNc1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is DQZIOOAPICXHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17-7-3-2-4-11(17)9-16-13-8-10(14)5-6-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3.
What are the key properties of 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline?
2,5-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 2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 62654307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).