(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol

C15H23BrN2O2 — CID 95610546

IUPAC(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O2/c1-12(19)10-17-6-8-18(9-7-17)11-15(20)13-2-4-14(16)5-3-13/h2-5,12,15,19-20H,6-11H2,1H3/t12-,15+/m0/s1
InChIKeyGWQMHFLCZNRLBO-SWLSCSKDSA-N
MW343.26 g/mol
LogP1.48
Rot. Bonds5

About (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol

(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol (PubChem CID 95610546) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
PubChem CID95610546
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O2/c1-12(19)10-17-6-8-18(9-7-17)11-15(20)13-2-4-14(16)5-3-13/h2-5,12,15,19-20H,6-11H2,1H3/t12-,15+/m0/s1
InChIKeyGWQMHFLCZNRLBO-SWLSCSKDSA-N
XLogP1.48
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-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

Related Compounds

1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol
CID 110935931
1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 95285863
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610555
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
CID 15048614
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol (CID 95610546) is (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1.
What is the InChIKey of (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol?
The InChIKey is GWQMHFLCZNRLBO-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-12(19)10-17-6-8-18(9-7-17)11-15(20)13-2-4-14(16)5-3-13/h2-5,12,15,19-20H,6-11H2,1H3/t12-,15+/m0/s1.
What are the key properties of (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol has a molecular weight of 343.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95610546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).