1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one

C19H21BrN2O — CID 4183279

IUPAC1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKeyCNFHGQXRVXBRRD-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one

1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 4183279) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID4183279
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKeyCNFHGQXRVXBRRD-UHFFFAOYSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(4-(3-aminocarbonyl-phenyl)-piperazin-1-yl)-butyl)-4-bromo-benzamide
CID 16066765
Propiophenone, 3-(4-phenyl-1-piperazinyl)-
CID 213313
Butropipazone
CID 16889
1-Benzoyl-4-phenylpiperazine
CID 258240
2-(4-Benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone
CID 664759
1-[4-(4-Benzylpiperazin-1-yl)phenyl]ethanone
CID 757808
(E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one
CID 5379238
1-(4-Bromophenyl)-3-(4-isopropylanilino)-1-propanone
CID 956953
N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide
CID 10049361
4-bromo-N-ethyl-N-phenylbenzamide
CID 838389
CID 6602834
CID 6602834
1-{4-[4-(2-Bromobenzoyl)-1-piperazinyl]-3-fluorophenyl}-1-propanone
CID 545020

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one (CID 4183279) is 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is CNFHGQXRVXBRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9H,10-15H2.
What are the key properties of 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 373.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 4183279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).