2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone

C13H17ClN2O — CID 65449559

IUPAC2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccccc2Cl)CCN1
InChIInChI=1S/C13H17ClN2O/c1-10-9-16(7-6-15-10)13(17)8-11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyVIAMRXQKNFWCCQ-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.70
Rot. Bonds2

About 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone

2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone (PubChem CID 65449559) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
PubChem CID65449559
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccccc2Cl)CCN1
InChIInChI=1S/C13H17ClN2O/c1-10-9-16(7-6-15-10)13(17)8-11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyVIAMRXQKNFWCCQ-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817
2-(4-chlorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 81428539
2-(2-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone;hydrochloride
CID 119638440
1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one
CID 114499855
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
2-(2-chlorophenyl)-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
CID 99903244
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone (CID 65449559) is 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone is CC1CN(C(=O)Cc2ccccc2Cl)CCN1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone?
The InChIKey is VIAMRXQKNFWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-10-9-16(7-6-15-10)13(17)8-11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone?
2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone has a molecular weight of 252.74 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 65449559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).