1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol

C18H21BrN2O — CID 2766999

IUPAC1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c19-16-8-6-15(7-9-16)18(22)14-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-9,18,22H,10-14H2
InChIKeyPRRTWFYLGGURKN-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.30
Rot. Bonds4

About 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol

1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol (PubChem CID 2766999) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
PubChem CID2766999
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c19-16-8-6-15(7-9-16)18(22)14-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-9,18,22H,10-14H2
InChIKeyPRRTWFYLGGURKN-UHFFFAOYSA-N
XLogP3.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol (CID 2766999) is 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol is OC(CN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
The InChIKey is PRRTWFYLGGURKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c19-16-8-6-15(7-9-16)18(22)14-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-9,18,22H,10-14H2.
What are the key properties of 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol has a molecular weight of 361.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)ethanol is sourced from PubChem (CID 2766999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).