1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

C19H23BrN2O2 — CID 3144356

IUPAC1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc(Br)cc1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23BrN2O2/c20-16-6-8-19(9-7-16)24-15-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9,18,23H,10-15H2
InChIKeyBYVSFAAQILCDRA-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.01
Rot. Bonds6

About 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 3144356) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID3144356
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc(Br)cc1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23BrN2O2/c20-16-6-8-19(9-7-16)24-15-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9,18,23H,10-15H2
InChIKeyBYVSFAAQILCDRA-UHFFFAOYSA-N
XLogP3.01
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 3144356) is 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is OC(COc1ccc(Br)cc1)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is BYVSFAAQILCDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c20-16-6-8-19(9-7-16)24-15-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9,18,23H,10-15H2.
What are the key properties of 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 391.31 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3144356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).