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

C18H19BrN2O2 — CID 1049087

IUPAC(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H19BrN2O2/c1-23-17-9-5-4-8-16(17)20-10-12-21(13-11-20)18(22)14-6-2-3-7-15(14)19/h2-9H,10-13H2,1H3
InChIKeyMAQAMWCPSXXIKY-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.42
Rot. Bonds3

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

(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 1049087) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID1049087
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H19BrN2O2/c1-23-17-9-5-4-8-16(17)20-10-12-21(13-11-20)18(22)14-6-2-3-7-15(14)19/h2-9H,10-13H2,1H3
InChIKeyMAQAMWCPSXXIKY-UHFFFAOYSA-N
XLogP3.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985
4-bromo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26534473
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
(5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 10764092
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 17224606
2-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42752888
[4-(2-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 42153662
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
CID 2977123

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 1049087) is (2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is MAQAMWCPSXXIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-23-17-9-5-4-8-16(17)20-10-12-21(13-11-20)18(22)14-6-2-3-7-15(14)19/h2-9H,10-13H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 375.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1049087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).