2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone

C13H17ClN2O2 — CID 119471869

IUPAC2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CNCCN1C(=O)COc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-10-8-15-6-7-16(10)13(17)9-18-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3
InChIKeyCKGZDCPXINFXBF-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone

2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone (PubChem CID 119471869) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
PubChem CID119471869
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CNCCN1C(=O)COc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-10-8-15-6-7-16(10)13(17)9-18-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3
InChIKeyCKGZDCPXINFXBF-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119469956
1-(2-methylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone;hydrochloride
CID 119471386
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106742122
2-(2,4-difluorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119471074
2-(2,4-dimethylphenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472369
2-(2,5-dimethylphenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472337
(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine
CID 95656879
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131
(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 124571039
N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119473001
1-[2-(2-chlorophenoxy)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069152

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone (CID 119471869) is 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone is CC1CNCCN1C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone?
The InChIKey is CKGZDCPXINFXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-10-8-15-6-7-16(10)13(17)9-18-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone?
2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 268.74 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119471869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).