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

C19H23BrN2O — CID 3074368

IUPAC2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9,19,23H,10-15H2
InChIKeyGWEAYNAKNNEYOS-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.30
Rot. Bonds5

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

2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol (PubChem CID 3074368) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
PubChem CID3074368
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9,19,23H,10-15H2
InChIKeyGWEAYNAKNNEYOS-UHFFFAOYSA-N
XLogP3.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol (CID 3074368) is 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol is OC(CN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol?
The InChIKey is GWEAYNAKNNEYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9,19,23H,10-15H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol?
2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol has a molecular weight of 375.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol is sourced from PubChem (CID 3074368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).