(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride

C13H20ClFN2O — CID 171174363

IUPAC(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCc1ccc([C@H](CO)N2CCNCC2)cc1F.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-10-2-3-11(8-12(10)14)13(9-17)16-6-4-15-5-7-16;/h2-3,8,13,15,17H,4-7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyMTCRCTHCZVNTSC-ZOWNYOTGSA-N
MW274.77 g/mol
LogP1.49
Rot. Bonds3

About (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171174363) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171174363
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCc1ccc([C@H](CO)N2CCNCC2)cc1F.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-10-2-3-11(8-12(10)14)13(9-17)16-6-4-15-5-7-16;/h2-3,8,13,15,17H,4-7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyMTCRCTHCZVNTSC-ZOWNYOTGSA-N
XLogP1.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;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

2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
1-[(1S)-1-(3-fluoro-4-methylphenyl)but-3-enyl]piperazine;hydrochloride
CID 171164286
1-[(1S)-1-(3-fluoro-4-methylphenyl)hexyl]piperazine
CID 171164247
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171173554
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173568
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
(2S)-2-(3,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171173593
1-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171277142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171174363) is (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride is Cc1ccc([C@H](CO)N2CCNCC2)cc1F.Cl.
What is the InChIKey of (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is MTCRCTHCZVNTSC-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c1-10-2-3-11(8-12(10)14)13(9-17)16-6-4-15-5-7-16;/h2-3,8,13,15,17H,4-7,9H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171174363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).