1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone

C13H18ClN3O — CID 18545117

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-15-10-13(18)17-8-6-16(7-9-17)12-5-3-2-4-11(12)14/h2-5,15H,6-10H2,1H3
InChIKeyYZIPTQKWTWMSJW-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.21
Rot. Bonds3

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone

1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone (PubChem CID 18545117) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
PubChem CID18545117
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-15-10-13(18)17-8-6-16(7-9-17)12-5-3-2-4-11(12)14/h2-5,15H,6-10H2,1H3
InChIKeyYZIPTQKWTWMSJW-UHFFFAOYSA-N
XLogP1.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 9082532
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119827734
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide
CID 9082260
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119827710
2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 60672816
1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
CID 119788770
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
CID 55684386

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone (CID 18545117) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone?
The InChIKey is YZIPTQKWTWMSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-15-10-13(18)17-8-6-16(7-9-17)12-5-3-2-4-11(12)14/h2-5,15H,6-10H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone?
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone has a molecular weight of 267.76 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 18545117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).