2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone

C14H19ClN2O — CID 63910205

IUPAC2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
SMILESCC1CNCC(C)N1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-8-16-9-11(2)17(10)14(18)7-12-5-3-4-6-13(12)15/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyPMHANHAVHRLUNO-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.09
Rot. Bonds2

About 2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone

2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone (PubChem CID 63910205) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
PubChem CID63910205
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
SMILESCC1CNCC(C)N1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-8-16-9-11(2)17(10)14(18)7-12-5-3-4-6-13(12)15/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyPMHANHAVHRLUNO-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559
1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 153467077
(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 107098174
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63909024
1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 63909611
(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 81265442
1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63909222
1-[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-2-(2-chlorophenyl)ethanone
CID 99903708
2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 126855369
(3S,4S)-1-[2-(2-chlorophenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98536830
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 63910984

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone (CID 63910205) is 2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone is CC1CNCC(C)N1C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone?
The InChIKey is PMHANHAVHRLUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-8-16-9-11(2)17(10)14(18)7-12-5-3-4-6-13(12)15/h3-6,10-11,16H,7-9H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone?
2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone has a molecular weight of 266.77 g/mol, XLogP of 2.09, 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-(2,6-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63910205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).