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

C13H19FN2S — CID 114236471

IUPAC[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
SMILESCSC1CCN(c2ccc(CN)cc2F)CC1
InChIInChI=1S/C13H19FN2S/c1-17-11-4-6-16(7-5-11)13-3-2-10(9-15)8-12(13)14/h2-3,8,11H,4-7,9,15H2,1H3
InChIKeyURKRJLOTFPDCKA-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.62
Rot. Bonds3

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

[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine (PubChem CID 114236471) has the molecular formula C13H19FN2S and a molecular weight of 254.37 g/mol. Its IUPAC name is [3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
PubChem CID114236471
Molecular FormulaC13H19FN2S
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC Name[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
SMILESCSC1CCN(c2ccc(CN)cc2F)CC1
InChIInChI=1S/C13H19FN2S/c1-17-11-4-6-16(7-5-11)13-3-2-10(9-15)8-12(13)14/h2-3,8,11H,4-7,9,15H2,1H3
InChIKeyURKRJLOTFPDCKA-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114238550
[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
CID 114237147
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine
CID 66392437
[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine
CID 63156540
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 62773221
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
[3-bromo-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol
CID 114237375
1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 55004144
5-fluoro-2-methoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236644
[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methanamine
CID 55216553

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine (CID 114236471) is [3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine is CSC1CCN(c2ccc(CN)cc2F)CC1.
What is the InChIKey of [3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is URKRJLOTFPDCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2S/c1-17-11-4-6-16(7-5-11)13-3-2-10(9-15)8-12(13)14/h2-3,8,11H,4-7,9,15H2,1H3.
What are the key properties of [3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine?
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 254.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114236471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).