(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

C13H20ClFN2O — CID 171173429

IUPAC(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@H](c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H19FN2O.ClH/c14-12-3-1-11(2-4-12)13(5-10-17)16-8-6-15-7-9-16;/h1-4,13,15,17H,5-10H2;1H/t13-;/m1./s1
InChIKeyUBAHXJYIJCGVEZ-BTQNPOSSSA-N
MW274.77 g/mol
LogP1.58
Rot. Bonds4

About (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171173429) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171173429
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@H](c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H19FN2O.ClH/c14-12-3-1-11(2-4-12)13(5-10-17)16-8-6-15-7-9-16;/h1-4,13,15,17H,5-10H2;1H/t13-;/m1./s1
InChIKeyUBAHXJYIJCGVEZ-BTQNPOSSSA-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

Analyze (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;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

4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188975
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
(3R)-3-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 96846750
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171188974
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
(3S)-3-(3-bromo-4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174200
(3S)-3-(3-chloro-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174371
(3S)-3-(4-ethylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189770
(3S)-3-piperazin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171189780
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol;hydrochloride
CID 171189404

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171173429) is (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is Cl.OCC[C@H](c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is UBAHXJYIJCGVEZ-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c14-12-3-1-11(2-4-12)13(5-10-17)16-8-6-15-7-9-16;/h1-4,13,15,17H,5-10H2;1H/t13-;/m1./s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3R)-3-(4-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 (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171173429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).