5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride

C13H20ClFN2O2 — CID 171168463

IUPAC5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
SMILESCl.Oc1cc(O)cc([C@@H](CCF)N2CCNCC2)c1
InChIInChI=1S/C13H19FN2O2.ClH/c14-2-1-13(16-5-3-15-4-6-16)10-7-11(17)9-12(18)8-10;/h7-9,13,15,17-18H,1-6H2;1H/t13-;/m1./s1
InChIKeyRKVURVSJYKENGR-BTQNPOSSSA-N
MW290.77 g/mol
LogP1.83
Rot. Bonds4

About 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride

5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride (PubChem CID 171168463) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
PubChem CID171168463
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
SMILESCl.Oc1cc(O)cc([C@@H](CCF)N2CCNCC2)c1
InChIInChI=1S/C13H19FN2O2.ClH/c14-2-1-13(16-5-3-15-4-6-16)10-7-11(17)9-12(18)8-10;/h7-9,13,15,17-18H,1-6H2;1H/t13-;/m1./s1
InChIKeyRKVURVSJYKENGR-BTQNPOSSSA-N
XLogP1.83
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1S)-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171273865
5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
CID 171189029
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3,5-triol;hydrochloride
CID 171167933
4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-2,6-diiodophenol
CID 171173141
5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
CID 171310689
5-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171175199
1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
CID 171164456
1-[(1S)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171164913
1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171170267
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
CID 171273867
(3R)-3-(3,5-dihydroxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306583

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride?
The IUPAC name of 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride (CID 171168463) is 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride?
The canonical SMILES for 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride is Cl.Oc1cc(O)cc([C@@H](CCF)N2CCNCC2)c1.
What is the InChIKey of 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride?
The InChIKey is RKVURVSJYKENGR-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c14-2-1-13(16-5-3-15-4-6-16)10-7-11(17)9-12(18)8-10;/h7-9,13,15,17-18H,1-6H2;1H/t13-;/m1./s1.
What are the key properties of 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride?
5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 171168463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).