5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline

C13H19FN2 — CID 105479559

IUPAC5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline
SMILESCN1CCCC(Cc2ccc(F)cc2N)C1
InChIInChI=1S/C13H19FN2/c1-16-6-2-3-10(9-16)7-11-4-5-12(14)8-13(11)15/h4-5,8,10H,2-3,6-7,9,15H2,1H3
InChIKeyVQBJZOSWVXHXEA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.29
Rot. Bonds2

About 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline

5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline (PubChem CID 105479559) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline
PubChem CID105479559
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline
SMILESCN1CCCC(Cc2ccc(F)cc2N)C1
InChIInChI=1S/C13H19FN2/c1-16-6-2-3-10(9-16)7-11-4-5-12(14)8-13(11)15/h4-5,8,10H,2-3,6-7,9,15H2,1H3
InChIKeyVQBJZOSWVXHXEA-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine
CID 115124856
2-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 84662847
4-fluoro-2-(1-methylazepan-4-yl)oxyaniline
CID 117095562
[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol
CID 43590227
5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine
CID 115093645
4-chloro-2-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 105482713
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972
3,5-difluoro-1-N-[(1-methylpiperidin-3-yl)methyl]benzene-1,2-diamine
CID 113325246
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606
1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
CID 71856849
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105261332
5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208118

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline (CID 105479559) is 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline is CN1CCCC(Cc2ccc(F)cc2N)C1.
What is the InChIKey of 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline?
The InChIKey is VQBJZOSWVXHXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16-6-2-3-10(9-16)7-11-4-5-12(14)8-13(11)15/h4-5,8,10H,2-3,6-7,9,15H2,1H3.
What are the key properties of 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline?
5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline has a molecular weight of 222.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline is sourced from PubChem (CID 105479559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).