(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

C13H20ClFN2O — CID 171174180

IUPAC(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@@H](c1ccccc1F)N1CCNCC1
InChIInChI=1S/C13H19FN2O.ClH/c14-12-4-2-1-3-11(12)13(5-10-17)16-8-6-15-7-9-16;/h1-4,13,15,17H,5-10H2;1H/t13-;/m0./s1
InChIKeySTWBNBVNLIELNI-ZOWNYOTGSA-N
MW274.77 g/mol
LogP1.58
Rot. Bonds4

About (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171174180) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171174180
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@@H](c1ccccc1F)N1CCNCC1
InChIInChI=1S/C13H19FN2O.ClH/c14-12-4-2-1-3-11(12)13(5-10-17)16-8-6-15-7-9-16;/h1-4,13,15,17H,5-10H2;1H/t13-;/m0./s1
InChIKeySTWBNBVNLIELNI-ZOWNYOTGSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174171
2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171173408
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171168334
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
(3S)-3-(3-fluoro-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171174280
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
(3R)-3-piperazin-1-yl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 171173703
2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171189089
2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid
CID 171189039
3-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol
CID 171189463
(3S)-3-(2,3-difluoro-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174730

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171174180) is (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is Cl.OCC[C@@H](c1ccccc1F)N1CCNCC1.
What is the InChIKey of (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is STWBNBVNLIELNI-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c14-12-4-2-1-3-11(12)13(5-10-17)16-8-6-15-7-9-16;/h1-4,13,15,17H,5-10H2;1H/t13-;/m0./s1.
What are the key properties of (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171174180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).