2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol

C17H24Br2N2O2 — CID 171296305

IUPAC2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol
SMILESCOc1cc([C@@H](C2CCCC2)N2CCNCC2)c(Br)c(Br)c1O
InChIInChI=1S/C17H24Br2N2O2/c1-23-13-10-12(14(18)15(19)17(13)22)16(11-4-2-3-5-11)21-8-6-20-7-9-21/h10-11,16,20,22H,2-9H2,1H3/t16-/m1/s1
InChIKeyJUZPZJNTKLGAFP-MRXNPFEDSA-N
MW448.20 g/mol
LogP4.06
Rot. Bonds4

About 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol

2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol (PubChem CID 171296305) has the molecular formula C17H24Br2N2O2 and a molecular weight of 448.20 g/mol. Its IUPAC name is 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol
PubChem CID171296305
Molecular FormulaC17H24Br2N2O2
Molecular Weight448.20 g/mol
Exact Mass446.02
IUPAC Name2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol
SMILESCOc1cc([C@@H](C2CCCC2)N2CCNCC2)c(Br)c(Br)c1O
InChIInChI=1S/C17H24Br2N2O2/c1-23-13-10-12(14(18)15(19)17(13)22)16(11-4-2-3-5-11)21-8-6-20-7-9-21/h10-11,16,20,22H,2-9H2,1H3/t16-/m1/s1
InChIKeyJUZPZJNTKLGAFP-MRXNPFEDSA-N
XLogP4.06
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.20
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dibromo-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxyphenol
CID 171283687
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171302213
2,3-dibromo-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296318
2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171296289
2-bromo-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171301210
2,3-dibromo-4-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]-6-methoxyphenol
CID 171177971
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129
2,3-dibromo-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296298
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol
CID 171296794
1-[(S)-(4-bromo-2,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171283159
2,3-dibromo-6-methoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171283674
1-[(S)-(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171275113

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol?
The IUPAC name of 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol (CID 171296305) is 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol.
What is the SMILES notation for 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol?
The canonical SMILES for 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol is COc1cc([C@@H](C2CCCC2)N2CCNCC2)c(Br)c(Br)c1O.
What is the InChIKey of 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol?
The InChIKey is JUZPZJNTKLGAFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24Br2N2O2/c1-23-13-10-12(14(18)15(19)17(13)22)16(11-4-2-3-5-11)21-8-6-20-7-9-21/h10-11,16,20,22H,2-9H2,1H3/t16-/m1/s1.
What are the key properties of 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol?
2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol has a molecular weight of 448.20 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol is sourced from PubChem (CID 171296305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).