1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol

C13H19FN2O — CID 82292226

IUPAC1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(Cc1ccccc1F)CN1CCNCC1
InChIInChI=1S/C13H19FN2O/c14-13-4-2-1-3-11(13)9-12(17)10-16-7-5-15-6-8-16/h1-4,12,15,17H,5-10H2
InChIKeySWSSUCHWLPWIKR-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.63
Rot. Bonds4

About 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol

1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 82292226) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol
PubChem CID82292226
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(Cc1ccccc1F)CN1CCNCC1
InChIInChI=1S/C13H19FN2O/c14-13-4-2-1-3-11(13)9-12(17)10-16-7-5-15-6-8-16/h1-4,12,15,17H,5-10H2
InChIKeySWSSUCHWLPWIKR-UHFFFAOYSA-N
XLogP0.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449817
1-[(2-fluorophenyl)methyl]-1,4-diazepane;hydrate;dihydrochloride
CID 47000648
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine
CID 82131506
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol
CID 82303720
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
1-(1,4-diazepan-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 119418204
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol (CID 82292226) is 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol is OC(Cc1ccccc1F)CN1CCNCC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is SWSSUCHWLPWIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-13-4-2-1-3-11(13)9-12(17)10-16-7-5-15-6-8-16/h1-4,12,15,17H,5-10H2.
What are the key properties of 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol?
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 238.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 82292226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).