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

C18H19BrN2O — CID 17249489

IUPAC(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H19BrN2O/c1-14-6-2-5-9-17(14)20-10-12-21(13-11-20)18(22)15-7-3-4-8-16(15)19/h2-9H,10-13H2,1H3
InChIKeyRFKIYTZJJPLRQZ-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.72
Rot. Bonds2

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

(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 17249489) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID17249489
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H19BrN2O/c1-14-6-2-5-9-17(14)20-10-12-21(13-11-20)18(22)15-7-3-4-8-16(15)19/h2-9H,10-13H2,1H3
InChIKeyRFKIYTZJJPLRQZ-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

[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
(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
(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 60778169
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645
1-[4-[4-(2-bromobenzoyl)piperazin-1-yl]-5-fluoro-2-methylphenyl]butan-1-one
CID 1339605
2-[4-(2-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 113080800
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 17249489) is (2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is RFKIYTZJJPLRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-14-6-2-5-9-17(14)20-10-12-21(13-11-20)18(22)15-7-3-4-8-16(15)19/h2-9H,10-13H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]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 (2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17249489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).