2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline

C13H19FN2O — CID 166463434

IUPAC2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline
SMILESCOc1cc(N2CCC(C)CC2)cc(F)c1N
InChIInChI=1S/C13H19FN2O/c1-9-3-5-16(6-4-9)10-7-11(14)13(15)12(8-10)17-2/h7-9H,3-6,15H2,1-2H3
InChIKeyPZVUBQMQXCDZBF-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.65
Rot. Bonds2

About 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline

2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline (PubChem CID 166463434) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline
PubChem CID166463434
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline
SMILESCOc1cc(N2CCC(C)CC2)cc(F)c1N
InChIInChI=1S/C13H19FN2O/c1-9-3-5-16(6-4-9)10-7-11(14)13(15)12(8-10)17-2/h7-9H,3-6,15H2,1-2H3
InChIKeyPZVUBQMQXCDZBF-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.65
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

4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline
CID 141305241
3-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 60874969
2-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 79678383
2,6-difluoro-4-[(3S)-3-fluoropyrrolidin-1-yl]aniline
CID 170761780
1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine
CID 155289674
1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
CID 145414301
1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine
CID 168604836
4-amino-3-fluoro-5-methoxybenzenethiol
CID 91874654
1-(3,5-dichlorophenyl)-4-methylpiperidine
CID 157277314
4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline
CID 82183629
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
5-bromo-4-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 66112236

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline (CID 166463434) is 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline is COc1cc(N2CCC(C)CC2)cc(F)c1N.
What is the InChIKey of 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline?
The InChIKey is PZVUBQMQXCDZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-3-5-16(6-4-9)10-7-11(14)13(15)12(8-10)17-2/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline?
2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline has a molecular weight of 238.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 166463434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).