1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one

C14H19BrN2O2 — CID 84607797

IUPAC1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one
SMILESCc1ccc(N2C(=O)C(CCO)NCC2C)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-9-3-4-13(11(15)7-9)17-10(2)8-16-12(5-6-18)14(17)19/h3-4,7,10,12,16,18H,5-6,8H2,1-2H3
InChIKeyNYNTYDPXRRHTKU-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one

1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one (PubChem CID 84607797) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one
PubChem CID84607797
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one
SMILESCc1ccc(N2C(=O)C(CCO)NCC2C)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-9-3-4-13(11(15)7-9)17-10(2)8-16-12(5-6-18)14(17)19/h3-4,7,10,12,16,18H,5-6,8H2,1-2H3
InChIKeyNYNTYDPXRRHTKU-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one 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-bromo-2-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one
CID 84607798
1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962036
2-[1-(2-bromo-4-methylphenyl)-7-methyl-1,4-diazepan-2-yl]ethanol
CID 84608275
1-(4-bromophenyl)-3-(2-hydroxyethyl)-6-methyl-1,4-diazepan-2-one
CID 84608069
1-(2-bromo-4-methylphenyl)-3-[(dimethylamino)methyl]piperazin-2-one
CID 84606825
(1R,2R,6S,7S)-4-(2-bromo-4-methylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2177179
2-(2-bromo-4-methylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3140663
1-(2-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962057
1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine
CID 64935270
3-(2-bromo-4-methylphenyl)-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 117010421
1-(2,4-dibromophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64965232
4-(4-bromo-2-methylphenyl)-3-(2-hydroxyethyl)-1-methylpiperazin-2-one
CID 84607947

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one (CID 84607797) is 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one is Cc1ccc(N2C(=O)C(CCO)NCC2C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one?
The InChIKey is NYNTYDPXRRHTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-3-4-13(11(15)7-9)17-10(2)8-16-12(5-6-18)14(17)19/h3-4,7,10,12,16,18H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one?
1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one has a molecular weight of 327.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 84607797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).