2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol

C15H23BrN2O — CID 84608235

IUPAC2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol
SMILESCc1cc(Br)ccc1N1C(C)CN(C)CC1CCO
InChIInChI=1S/C15H23BrN2O/c1-11-8-13(16)4-5-15(11)18-12(2)9-17(3)10-14(18)6-7-19/h4-5,8,12,14,19H,6-7,9-10H2,1-3H3
InChIKeyYJGHSJCUGQZFAH-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.65
Rot. Bonds3

About 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol

2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol (PubChem CID 84608235) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol
PubChem CID84608235
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol
SMILESCc1cc(Br)ccc1N1C(C)CN(C)CC1CCO
InChIInChI=1S/C15H23BrN2O/c1-11-8-13(16)4-5-15(11)18-12(2)9-17(3)10-14(18)6-7-19/h4-5,8,12,14,19H,6-7,9-10H2,1-3H3
InChIKeyYJGHSJCUGQZFAH-UHFFFAOYSA-N
XLogP2.65
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol (CID 84608235) is 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol is Cc1cc(Br)ccc1N1C(C)CN(C)CC1CCO.
What is the InChIKey of 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol?
The InChIKey is YJGHSJCUGQZFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11-8-13(16)4-5-15(11)18-12(2)9-17(3)10-14(18)6-7-19/h4-5,8,12,14,19H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol?
2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol has a molecular weight of 327.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol is sourced from PubChem (CID 84608235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).