1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol

C13H19FN2O — CID 61434717

IUPAC1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
SMILESCC(N)c1ccc(N2CCCC(O)C2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3
InChIKeyUWYZIMBQVUQYSP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.81
Rot. Bonds2

About 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol

1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol (PubChem CID 61434717) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
PubChem CID61434717
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
SMILESCC(N)c1ccc(N2CCCC(O)C2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3
InChIKeyUWYZIMBQVUQYSP-UHFFFAOYSA-N
XLogP1.81
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
CID 78934473
(1R)-1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-fluorophenyl]ethanamine
CID 63369044
1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 43584596
(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 55188508
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-fluorophenyl]ethanamine
CID 113335787
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
(1S)-1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]ethanamine
CID 79005160
(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 63368910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol?
The IUPAC name of 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol (CID 61434717) is 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol.
What is the SMILES notation for 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol?
The canonical SMILES for 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol is CC(N)c1ccc(N2CCCC(O)C2)c(F)c1.
What is the InChIKey of 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol?
The InChIKey is UWYZIMBQVUQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3.
What are the key properties of 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol?
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol has a molecular weight of 238.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol is sourced from PubChem (CID 61434717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).