[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol

C13H19FN2O — CID 79516188

IUPAC[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
SMILESNCc1c(F)cccc1N1CCCC(CO)C1
InChIInChI=1S/C13H19FN2O/c14-12-4-1-5-13(11(12)7-15)16-6-2-3-10(8-16)9-17/h1,4-5,10,17H,2-3,6-9,15H2
InChIKeyIQBLJEVJSWNTET-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.49
Rot. Bonds3

About [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol

[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol (PubChem CID 79516188) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
PubChem CID79516188
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
SMILESNCc1c(F)cccc1N1CCCC(CO)C1
InChIInChI=1S/C13H19FN2O/c14-12-4-1-5-13(11(12)7-15)16-6-2-3-10(8-16)9-17/h1,4-5,10,17H,2-3,6-9,15H2
InChIKeyIQBLJEVJSWNTET-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]methanol
CID 114065244
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]methanamine
CID 79515492
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine
CID 79687629
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
3-fluoro-4-[3-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 43657969
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
CID 63082651
[1-(2-fluorophenyl)azepan-3-yl]methanamine
CID 84687805
[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol
CID 43590227

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol (CID 79516188) is [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol is NCc1c(F)cccc1N1CCCC(CO)C1.
What is the InChIKey of [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol?
The InChIKey is IQBLJEVJSWNTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-4-1-5-13(11(12)7-15)16-6-2-3-10(8-16)9-17/h1,4-5,10,17H,2-3,6-9,15H2.
What are the key properties of [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol?
[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol has a molecular weight of 238.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 79516188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).