1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone

C15H21BrN2O — CID 43219918

IUPAC1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2O/c1-2-7-17-8-10-18(11-9-17)12-15(19)13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyUEYXRXACTFTAPW-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.66
Rot. Bonds5

About 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone

1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone (PubChem CID 43219918) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone
PubChem CID43219918
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2O/c1-2-7-17-8-10-18(11-9-17)12-15(19)13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyUEYXRXACTFTAPW-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80581332
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
4-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)butan-1-one
CID 43229459
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 60680749
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
1-[2-(4-bromophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017674
1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 62612808
1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223659

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone (CID 43219918) is 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(CC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is UEYXRXACTFTAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-7-17-8-10-18(11-9-17)12-15(19)13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone?
1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 325.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43219918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).