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

C19H21BrN2O — CID 664759

IUPAC2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyRAHBQBFGEFXJNL-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.45
Rot. Bonds5

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

2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone (PubChem CID 664759) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone
PubChem CID664759
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyRAHBQBFGEFXJNL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4'-((Allyl(Methyl)Amino)Methyl)-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone
CID 445986
2-[4-[2-(4-Bromophenyl)-2-oxoethyl]piperazin-1-yl]acetonitrile
CID 586695
[(4-{4-[(4-Bromophenyl)carbonyl]phenyl}phenyl)methyl](methyl)(prop-2-en-1-yl)amine hydrochloride
CID 44570860
1-Benzyl-4-[3-(4-bromophenyl)acryloyl]piperazine
CID 1220338
4-bromo-N-phenacylbenzamide
CID 732474
(E)-1-(4-benzoylpiperazin-1-yl)-3-(4-bromophenyl)prop-2-en-1-one
CID 73330413
1-Propanone, 1-(4-bromophenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 120529
1-(4-Bromophenyl)-3-(4-phenyl-1-piperazinyl)-1-propanone
CID 4183279
4-Benzyl-1-(4-bromobenzoyl)piperidine
CID 984595
[4-(3-Bromo-benzoyl)-piperazin-1-yl]-(3-bromo-phenyl)-methanone
CID 237579
(4-Benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone
CID 1209997
N-[(E)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide
CID 1923756

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone (CID 664759) is 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone is O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone?
The InChIKey is RAHBQBFGEFXJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone?
2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone has a molecular weight of 373.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 664759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).