1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol

C15H23BrN2O — CID 115414918

IUPAC1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
SMILESCN1CCN(C)C(CC(O)Cc2cccc(Br)c2)C1
InChIInChI=1S/C15H23BrN2O/c1-17-6-7-18(2)14(11-17)10-15(19)9-12-4-3-5-13(16)8-12/h3-5,8,14-15,19H,6-7,9-11H2,1-2H3
InChIKeyGYXHOPXPOUDETH-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol

1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol (PubChem CID 115414918) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
PubChem CID115414918
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
SMILESCN1CCN(C)C(CC(O)Cc2cccc(Br)c2)C1
InChIInChI=1S/C15H23BrN2O/c1-17-6-7-18(2)14(11-17)10-15(19)9-12-4-3-5-13(16)8-12/h3-5,8,14-15,19H,6-7,9-11H2,1-2H3
InChIKeyGYXHOPXPOUDETH-UHFFFAOYSA-N
XLogP1.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-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

Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659510
[2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247302
3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
CID 115415228
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 115415288
1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115
1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793699
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634
1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008451
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
1-(3-bromophenyl)octan-2-ol
CID 63411241

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol (CID 115414918) is 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol is CN1CCN(C)C(CC(O)Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol?
The InChIKey is GYXHOPXPOUDETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17-6-7-18(2)14(11-17)10-15(19)9-12-4-3-5-13(16)8-12/h3-5,8,14-15,19H,6-7,9-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol?
1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol has a molecular weight of 327.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol is sourced from PubChem (CID 115414918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).