4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one

C14H19BrN2O2 — CID 84607929

IUPAC4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one
SMILESCC1(C)CN(c2ccc(Br)cc2)C(CCO)C(=O)N1
InChIInChI=1S/C14H19BrN2O2/c1-14(2)9-17(11-5-3-10(15)4-6-11)12(7-8-18)13(19)16-14/h3-6,12,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyWRESVBYEWLLRGR-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.91
Rot. Bonds3

About 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one

4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one (PubChem CID 84607929) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one
PubChem CID84607929
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one
SMILESCC1(C)CN(c2ccc(Br)cc2)C(CCO)C(=O)N1
InChIInChI=1S/C14H19BrN2O2/c1-14(2)9-17(11-5-3-10(15)4-6-11)12(7-8-18)13(19)16-14/h3-6,12,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyWRESVBYEWLLRGR-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-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

4-(4-bromophenyl)-3-(2-hydroxyethyl)-7-methyl-1,4-diazepan-2-one
CID 84608114
2-[1-(3-bromo-4-methylphenyl)-5,5-dimethyl-3-oxopiperazin-2-yl]acetonitrile
CID 84610671
4-(4-bromophenyl)-3-methylpiperazine-2,6-dione
CID 82346677
4-(3-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-1,4-diazepan-2-one
CID 84608009
1-(4-bromophenyl)-3-(2-hydroxyethyl)-6-methyl-1,4-diazepan-2-one
CID 84608069
1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64962532
2-[4-(4-bromophenyl)-1,5-dimethyl-1,4-diazepan-2-yl]ethanol
CID 84608271
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
(3aS,4R,7R,7aS)-2-(4-bromophenyl)-4-(hydroxymethyl)-7-methyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 98070919
(3aS,4S,7R,7aS)-2-(4-bromophenyl)-4-(hydroxymethyl)-7-methyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 11906365
3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117011179
9-(4-bromophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64962604

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one (CID 84607929) is 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one is CC1(C)CN(c2ccc(Br)cc2)C(CCO)C(=O)N1.
What is the InChIKey of 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one?
The InChIKey is WRESVBYEWLLRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-14(2)9-17(11-5-3-10(15)4-6-11)12(7-8-18)13(19)16-14/h3-6,12,18H,7-9H2,1-2H3,(H,16,19).
What are the key properties of 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one?
4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one has a molecular weight of 327.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(2-hydroxyethyl)-6,6-dimethylpiperazin-2-one is sourced from PubChem (CID 84607929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).