4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride

C12H18Cl3FN2O — CID 171272111

IUPAC4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESCl.Cl.Oc1ccc(Cl)cc1[C@H](CF)N1CCNCC1
InChIInChI=1S/C12H16ClFN2O.2ClH/c13-9-1-2-12(17)10(7-9)11(8-14)16-5-3-15-4-6-16;;/h1-2,7,11,15,17H,3-6,8H2;2*1H/t11-;;/m0../s1
InChIKeyLNFIHWMMEXUISO-IDMXKUIJSA-N
MW331.65 g/mol
LogP2.81
Rot. Bonds3

About 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride

4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride (PubChem CID 171272111) has the molecular formula C12H18Cl3FN2O and a molecular weight of 331.65 g/mol. Its IUPAC name is 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
PubChem CID171272111
Molecular FormulaC12H18Cl3FN2O
Molecular Weight331.65 g/mol
Exact Mass330.05
IUPAC Name4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESCl.Cl.Oc1ccc(Cl)cc1[C@H](CF)N1CCNCC1
InChIInChI=1S/C12H16ClFN2O.2ClH/c13-9-1-2-12(17)10(7-9)11(8-14)16-5-3-15-4-6-16;;/h1-2,7,11,15,17H,3-6,8H2;2*1H/t11-;;/m0../s1
InChIKeyLNFIHWMMEXUISO-IDMXKUIJSA-N
XLogP2.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.65
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride 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-chloro-2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]phenol
CID 171167978
2-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-4-methylphenol;dihydrochloride
CID 171288255
4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307229
4-chloro-2-fluoro-6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171299645
1-[(1S)-1-(2-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181808
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]benzene-1,2,3-triol;hydrochloride
CID 171181716
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288327
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175594
1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride
CID 171182779
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,4-diol;hydrochloride
CID 171163343
2-bromo-4-chloro-6-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171300644
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
CID 171181979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The IUPAC name of 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride (CID 171272111) is 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride.
What is the SMILES notation for 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The canonical SMILES for 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride is Cl.Cl.Oc1ccc(Cl)cc1[C@H](CF)N1CCNCC1.
What is the InChIKey of 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The InChIKey is LNFIHWMMEXUISO-IDMXKUIJSA-N. The full InChI is InChI=1S/C12H16ClFN2O.2ClH/c13-9-1-2-12(17)10(7-9)11(8-14)16-5-3-15-4-6-16;;/h1-2,7,11,15,17H,3-6,8H2;2*1H/t11-;;/m0../s1.
What are the key properties of 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride?
4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride has a molecular weight of 331.65 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride is sourced from PubChem (CID 171272111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).