2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol

C15H21Br3N2O — CID 171296846

IUPAC2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
SMILESCC(C)(C)[C@H](c1c(Br)cc(Br)c(O)c1Br)N1CCNCC1
InChIInChI=1S/C15H21Br3N2O/c1-15(2,3)14(20-6-4-19-5-7-20)11-9(16)8-10(17)13(21)12(11)18/h8,14,19,21H,4-7H2,1-3H3/t14-/m0/s1
InChIKeyXUKQQUVMPOMLPX-AWEZNQCLSA-N
MW485.06 g/mol
LogP4.67
Rot. Bonds2

About 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol

2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol (PubChem CID 171296846) has the molecular formula C15H21Br3N2O and a molecular weight of 485.06 g/mol. Its IUPAC name is 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol.

Molecular Properties

Compound Name2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
PubChem CID171296846
Molecular FormulaC15H21Br3N2O
Molecular Weight485.06 g/mol
Exact Mass481.92
IUPAC Name2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
SMILESCC(C)(C)[C@H](c1c(Br)cc(Br)c(O)c1Br)N1CCNCC1
InChIInChI=1S/C15H21Br3N2O/c1-15(2,3)14(20-6-4-19-5-7-20)11-9(16)8-10(17)13(21)12(11)18/h8,14,19,21H,4-7H2,1-3H3/t14-/m0/s1
InChIKeyXUKQQUVMPOMLPX-AWEZNQCLSA-N
XLogP4.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.06
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171286577
2,4,6-tribromo-3-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol
CID 171183281
2-bromo-6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol
CID 171298149
2,4,6-tribromo-3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304941
2,4,6-tribromo-3-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171173303
2,4,6-tribromo-3-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171309768
2,6-ditert-butyl-4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272285
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,6-difluorophenol;dihydrochloride
CID 171297630
4-bromo-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171285517
1-[(1R)-1-(3-bromo-2,6-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 171170095
1-[(1R)-1-(3,5-dibromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295363
1-[(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277709

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
The IUPAC name of 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol (CID 171296846) is 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol.
What is the SMILES notation for 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
The canonical SMILES for 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol is CC(C)(C)[C@H](c1c(Br)cc(Br)c(O)c1Br)N1CCNCC1.
What is the InChIKey of 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
The InChIKey is XUKQQUVMPOMLPX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21Br3N2O/c1-15(2,3)14(20-6-4-19-5-7-20)11-9(16)8-10(17)13(21)12(11)18/h8,14,19,21H,4-7H2,1-3H3/t14-/m0/s1.
What are the key properties of 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol has a molecular weight of 485.06 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol is sourced from PubChem (CID 171296846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).