[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine

C13H19FN2O — CID 102955941

IUPAC[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
SMILESCOC1CCCN(c2ccc(CN)cc2F)C1
InChIInChI=1S/C13H19FN2O/c1-17-11-3-2-6-16(9-11)13-5-4-10(8-15)7-12(13)14/h4-5,7,11H,2-3,6,8-9,15H2,1H3
InChIKeyLPPYTUPKHHWVQY-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.90
Rot. Bonds3

About [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine

[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine (PubChem CID 102955941) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
PubChem CID102955941
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
SMILESCOC1CCCN(c2ccc(CN)cc2F)C1
InChIInChI=1S/C13H19FN2O/c1-17-11-3-2-6-16(9-11)13-5-4-10(8-15)7-12(13)14/h4-5,7,11H,2-3,6,8-9,15H2,1H3
InChIKeyLPPYTUPKHHWVQY-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
CID 102968834
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
CID 55135292
[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960143
[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine
CID 63075929
1-[4-(chloromethyl)-2-fluorophenyl]-3-(methoxymethyl)piperidine
CID 106587689
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
methyl 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzoate
CID 102964172
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
CID 114236471
1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968802

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine (CID 102955941) is [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine is COC1CCCN(c2ccc(CN)cc2F)C1.
What is the InChIKey of [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine?
The InChIKey is LPPYTUPKHHWVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-11-3-2-6-16(9-11)13-5-4-10(8-15)7-12(13)14/h4-5,7,11H,2-3,6,8-9,15H2,1H3.
What are the key properties of [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine?
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine has a molecular weight of 238.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 102955941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).