3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline

C13H18F2N2O — CID 65472075

IUPAC3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline
SMILESCN1CCCCC1COc1c(F)cc(N)cc1F
InChIInChI=1S/C13H18F2N2O/c1-17-5-3-2-4-10(17)8-18-13-11(14)6-9(16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyIEEOKKLZEQSHEE-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.41
Rot. Bonds3

About 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline

3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline (PubChem CID 65472075) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline
PubChem CID65472075
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline
SMILESCN1CCCCC1COc1c(F)cc(N)cc1F
InChIInChI=1S/C13H18F2N2O/c1-17-5-3-2-4-10(17)8-18-13-11(14)6-9(16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyIEEOKKLZEQSHEE-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 66110381
3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 112648511
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-amine
CID 65472450
6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 80877128
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid
CID 65469618
2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54448994
1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
CID 65467678
3-bromo-5-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107910959
(1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
CID 79009023
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 114049950

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline?
The IUPAC name of 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline (CID 65472075) is 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline.
What is the SMILES notation for 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline?
The canonical SMILES for 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline is CN1CCCCC1COc1c(F)cc(N)cc1F.
What is the InChIKey of 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline?
The InChIKey is IEEOKKLZEQSHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-17-5-3-2-4-10(17)8-18-13-11(14)6-9(16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3.
What are the key properties of 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline?
3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline has a molecular weight of 256.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline is sourced from PubChem (CID 65472075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).