(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol

C14H21FN2O3 — CID 171174768

IUPAC(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCOc1cc(F)c([C@H](CO)N2CCNCC2)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-19-13-7-10(11(15)8-14(13)20-2)12(9-18)17-5-3-16-4-6-17/h7-8,12,16,18H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyMTSXONHQLDMQEY-LBPRGKRZSA-N
MW284.33 g/mol
LogP0.78
Rot. Bonds5

About (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol

(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol (PubChem CID 171174768) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
PubChem CID171174768
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCOc1cc(F)c([C@H](CO)N2CCNCC2)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-19-13-7-10(11(15)8-14(13)20-2)12(9-18)17-5-3-16-4-6-17/h7-8,12,16,18H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyMTSXONHQLDMQEY-LBPRGKRZSA-N
XLogP0.78
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol 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

1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295369
1-[(1S)-3,3,3-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine
CID 171167387
1-[(1R)-4,4,4-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)butyl]piperazine
CID 171172693
(2S)-2-piperazin-1-yl-2-(2,4,5-trifluorophenyl)ethanol
CID 171173945
(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174680
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295391
2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 82303827
(3R)-3-piperazin-1-yl-3-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 171189008
1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171282753
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
CID 171183397
1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171273557
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol (CID 171174768) is (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol is COc1cc(F)c([C@H](CO)N2CCNCC2)cc1OC.
What is the InChIKey of (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol?
The InChIKey is MTSXONHQLDMQEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-19-13-7-10(11(15)8-14(13)20-2)12(9-18)17-5-3-16-4-6-17/h7-8,12,16,18H,3-6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol?
(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol has a molecular weight of 284.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 171174768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).