1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol

C15H23BrN2O — CID 82970507

IUPAC1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
SMILESCCN1CCN(c2ccc(Br)cc2C(C)O)CC1C
InChIInChI=1S/C15H23BrN2O/c1-4-17-7-8-18(10-11(17)2)15-6-5-13(16)9-14(15)12(3)19/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3
InChIKeyKWFDIRFLJTXUCE-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.03
Rot. Bonds3

About 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol

1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol (PubChem CID 82970507) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
PubChem CID82970507
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
SMILESCCN1CCN(c2ccc(Br)cc2C(C)O)CC1C
InChIInChI=1S/C15H23BrN2O/c1-4-17-7-8-18(10-11(17)2)15-6-5-13(16)9-14(15)12(3)19/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3
InChIKeyKWFDIRFLJTXUCE-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol (CID 82970507) is 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol is CCN1CCN(c2ccc(Br)cc2C(C)O)CC1C.
What is the InChIKey of 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is KWFDIRFLJTXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-17-7-8-18(10-11(17)2)15-6-5-13(16)9-14(15)12(3)19/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol?
1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol has a molecular weight of 327.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 82970507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).