2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol

C13H18Br2N2O2 — CID 171296289

IUPAC2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol
SMILESCOc1cc([C@@H](C)N2CCNCC2)c(Br)c(Br)c1O
InChIInChI=1S/C13H18Br2N2O2/c1-8(17-5-3-16-4-6-17)9-7-10(19-2)13(18)12(15)11(9)14/h7-8,16,18H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyRJDCRSJZBPLBBP-MRVPVSSYSA-N
MW394.11 g/mol
LogP2.89
Rot. Bonds3

About 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol

2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol (PubChem CID 171296289) has the molecular formula C13H18Br2N2O2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol.

Molecular Properties

Compound Name2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol
PubChem CID171296289
Molecular FormulaC13H18Br2N2O2
Molecular Weight394.11 g/mol
Exact Mass391.97
IUPAC Name2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol
SMILESCOc1cc([C@@H](C)N2CCNCC2)c(Br)c(Br)c1O
InChIInChI=1S/C13H18Br2N2O2/c1-8(17-5-3-16-4-6-17)9-7-10(19-2)13(18)12(15)11(9)14/h7-8,16,18H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyRJDCRSJZBPLBBP-MRVPVSSYSA-N
XLogP2.89
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol 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

2,3-dibromo-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296298
2,3-dibromo-4-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]-6-methoxyphenol
CID 171177971
2,3-dibromo-6-methoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171283674
2,3-dibromo-4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol
CID 171190339
2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol
CID 171296305
2,3-dibromo-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296318
2,3-dibromo-6-methoxy-4-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171296326
2,3-dibromo-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxyphenol
CID 171283687
1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171283147
2,3-dibromo-6-methoxy-4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol;dihydrochloride
CID 171296314
2-methoxy-6-nitro-4-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171279403
2-methoxy-6-nitro-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171292025

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol?
The IUPAC name of 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol (CID 171296289) is 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol.
What is the SMILES notation for 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol?
The canonical SMILES for 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol is COc1cc([C@@H](C)N2CCNCC2)c(Br)c(Br)c1O.
What is the InChIKey of 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol?
The InChIKey is RJDCRSJZBPLBBP-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2/c1-8(17-5-3-16-4-6-17)9-7-10(19-2)13(18)12(15)11(9)14/h7-8,16,18H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol?
2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol has a molecular weight of 394.11 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol is sourced from PubChem (CID 171296289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).