1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one

C19H21BrN2O — CID 113079354

IUPAC1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C19H21BrN2O/c20-17-8-4-5-9-18(17)21-12-14-22(15-13-21)19(23)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyOWHLOIAUVPJRJM-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 113079354) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID113079354
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C19H21BrN2O/c20-17-8-4-5-9-18(17)21-12-14-22(15-13-21)19(23)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyOWHLOIAUVPJRJM-UHFFFAOYSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113077319
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 113079351
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108534171
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]-3-phenylpropan-1-one
CID 23600348
3-(3-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 134031560
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 113079354) is 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN(c2ccccc2Br)CC1.
What is the InChIKey of 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is OWHLOIAUVPJRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c20-17-8-4-5-9-18(17)21-12-14-22(15-13-21)19(23)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 373.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 113079354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).