(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

C14H19BrN2O2 — CID 95326223

IUPAC(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-11(18)10-16-6-8-17(9-7-16)14(19)12-2-4-13(15)5-3-12/h2-5,11,18H,6-10H2,1H3/t11-/m1/s1
InChIKeyZIGCLIHXJPWVQC-LLVKDONJSA-N
MW327.22 g/mol
LogP1.59
Rot. Bonds3

About (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95326223) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95326223
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-11(18)10-16-6-8-17(9-7-16)14(19)12-2-4-13(15)5-3-12/h2-5,11,18H,6-10H2,1H3/t11-/m1/s1
InChIKeyZIGCLIHXJPWVQC-LLVKDONJSA-N
XLogP1.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone 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

(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95332327
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779852
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
(4-bromophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 63395617
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46596156
[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 56802463
2-methylpropyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
CID 108567941
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95326223) is (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is ZIGCLIHXJPWVQC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-11(18)10-16-6-8-17(9-7-16)14(19)12-2-4-13(15)5-3-12/h2-5,11,18H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 327.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95326223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).