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

C14H19BrN2O — CID 2473986

IUPAC1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O/c1-2-16-7-9-17(10-8-16)11-14(18)12-5-3-4-6-13(12)15/h3-6H,2,7-11H2,1H3
InChIKeyAFTUROLTUQNRKQ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.27
Rot. Bonds4

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

1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 2473986) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone
PubChem CID2473986
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O/c1-2-16-7-9-17(10-8-16)11-14(18)12-5-3-4-6-13(12)15/h3-6H,2,7-11H2,1H3
InChIKeyAFTUROLTUQNRKQ-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone (CID 2473986) is 1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(CC(=O)c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is AFTUROLTUQNRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-16-7-9-17(10-8-16)11-14(18)12-5-3-4-6-13(12)15/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 311.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2473986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).