1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride

C14H21Cl2FN2O2 — CID 167936540

IUPAC1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride
SMILESCC(=O)c1c(F)cccc1N1CCC(O)(CN)CC1.Cl.Cl
InChIInChI=1S/C14H19FN2O2.2ClH/c1-10(18)13-11(15)3-2-4-12(13)17-7-5-14(19,9-16)6-8-17;;/h2-4,19H,5-9,16H2,1H3;2*1H
InChIKeyARVUKCSBJDARCE-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.16
Rot. Bonds3

About 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride

1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride (PubChem CID 167936540) has the molecular formula C14H21Cl2FN2O2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride
PubChem CID167936540
Molecular FormulaC14H21Cl2FN2O2
Molecular Weight339.24 g/mol
Exact Mass338.10
IUPAC Name1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride
SMILESCC(=O)c1c(F)cccc1N1CCC(O)(CN)CC1.Cl.Cl
InChIInChI=1S/C14H19FN2O2.2ClH/c1-10(18)13-11(15)3-2-4-12(13)17-7-5-14(19,9-16)6-8-17;;/h2-4,19H,5-9,16H2,1H3;2*1H
InChIKeyARVUKCSBJDARCE-UHFFFAOYSA-N
XLogP2.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
CID 28787522
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
4-(aminomethyl)-1-(2-hydroxyphenyl)piperidin-4-ol
CID 115033365
1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanone
CID 61419831
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
1-[2-fluoro-6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]phenyl]ethanone
CID 125130888
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
CID 133278302
2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide
CID 136569036

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride?
The IUPAC name of 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride (CID 167936540) is 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride.
What is the SMILES notation for 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride?
The canonical SMILES for 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride is CC(=O)c1c(F)cccc1N1CCC(O)(CN)CC1.Cl.Cl.
What is the InChIKey of 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride?
The InChIKey is ARVUKCSBJDARCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2.2ClH/c1-10(18)13-11(15)3-2-4-12(13)17-7-5-14(19,9-16)6-8-17;;/h2-4,19H,5-9,16H2,1H3;2*1H.
What are the key properties of 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride?
1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride has a molecular weight of 339.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride is sourced from PubChem (CID 167936540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).