[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol

C15H23BrN2O — CID 84608205

IUPAC[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol
SMILESCc1cc(Br)ccc1N1CC(CO)N(C)CC1(C)C
InChIInChI=1S/C15H23BrN2O/c1-11-7-12(16)5-6-14(11)18-8-13(9-19)17(4)10-15(18,2)3/h5-7,13,19H,8-10H2,1-4H3
InChIKeyGCGDODRZWFPUSX-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.65
Rot. Bonds2

About [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol

[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol (PubChem CID 84608205) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol
PubChem CID84608205
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol
SMILESCc1cc(Br)ccc1N1CC(CO)N(C)CC1(C)C
InChIInChI=1S/C15H23BrN2O/c1-11-7-12(16)5-6-14(11)18-8-13(9-19)17(4)10-15(18,2)3/h5-7,13,19H,8-10H2,1-4H3
InChIKeyGCGDODRZWFPUSX-UHFFFAOYSA-N
XLogP2.65
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]acetonitrile
CID 84610854
[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018900
2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol
CID 84608235
[4-(3-bromophenyl)-1,6,6-trimethyl-1,4-diazepan-2-yl]methanol
CID 84608336
2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanol
CID 117025606
2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
CID 84607204
1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020305
2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
CID 84607203
1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019252
1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine
CID 84607264
[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
CID 117012261
2-[1-(4-bromo-2-methylphenyl)-5,5-dimethylpiperazin-2-yl]acetonitrile
CID 84605092

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol?
The IUPAC name of [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol (CID 84608205) is [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol?
The canonical SMILES for [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol is Cc1cc(Br)ccc1N1CC(CO)N(C)CC1(C)C.
What is the InChIKey of [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol?
The InChIKey is GCGDODRZWFPUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11-7-12(16)5-6-14(11)18-8-13(9-19)17(4)10-15(18,2)3/h5-7,13,19H,8-10H2,1-4H3.
What are the key properties of [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol?
[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol has a molecular weight of 327.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol is sourced from PubChem (CID 84608205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).