[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone

C18H19BrN2O — CID 113079338

IUPAC[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C18H19BrN2O/c1-14-6-2-3-7-15(14)18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)19/h2-9H,10-13H2,1H3
InChIKeyPAIGLXXOGQWFBR-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.72
Rot. Bonds2

About [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 113079338) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID113079338
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C18H19BrN2O/c1-14-6-2-3-7-15(14)18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)19/h2-9H,10-13H2,1H3
InChIKeyPAIGLXXOGQWFBR-UHFFFAOYSA-N
XLogP3.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
2-[4-(2-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 113080800
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-[4-(2,4,5-trimethylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051643
(2-bromophenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075509
1-[4-[4-(2-bromobenzoyl)piperazin-1-yl]-5-fluoro-2-methylphenyl]ethanone
CID 5207021

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 113079338) is [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(c2ccccc2Br)CC1.
What is the InChIKey of [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is PAIGLXXOGQWFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-14-6-2-3-7-15(14)18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)19/h2-9H,10-13H2,1H3.
What are the key properties of [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 359.27 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 113079338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).