1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one

C14H19BrN2O2 — CID 84607837

IUPAC1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
SMILESCC1(C)CN(c2ccccc2Br)C(=O)C(CCO)N1
InChIInChI=1S/C14H19BrN2O2/c1-14(2)9-17(12-6-4-3-5-10(12)15)13(19)11(16-14)7-8-18/h3-6,11,16,18H,7-9H2,1-2H3
InChIKeyMWIBBALHQHJQCN-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.91
Rot. Bonds3

About 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one

1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one (PubChem CID 84607837) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
PubChem CID84607837
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
SMILESCC1(C)CN(c2ccccc2Br)C(=O)C(CCO)N1
InChIInChI=1S/C14H19BrN2O2/c1-14(2)9-17(12-6-4-3-5-10(12)15)13(19)11(16-14)7-8-18/h3-6,11,16,18H,7-9H2,1-2H3
InChIKeyMWIBBALHQHJQCN-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

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Related Compounds

2-[4-(2-bromophenyl)-6,6-dimethyl-3-oxopiperazin-2-yl]acetonitrile
CID 84604807
2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
3-(2-bromophenyl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009765
1-(2-bromophenyl)-3-(hydroxymethyl)-4,5-dimethyl-1,4-diazepan-2-one
CID 84608108
4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one
CID 117008868
(3S)-1-(2-bromophenyl)-3-propanoylpiperidin-2-one
CID 125449248
1-(4-bromophenyl)-3-(2-hydroxyethyl)-6-methyl-1,4-diazepan-2-one
CID 84608069
3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011660
1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962438
3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063939
(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
CID 26342865

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
The IUPAC name of 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one (CID 84607837) is 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one is CC1(C)CN(c2ccccc2Br)C(=O)C(CCO)N1.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
The InChIKey is MWIBBALHQHJQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-14(2)9-17(12-6-4-3-5-10(12)15)13(19)11(16-14)7-8-18/h3-6,11,16,18H,7-9H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-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 1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 84607837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).