2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone

C15H21ClN2O — CID 110662368

IUPAC2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccccc2Cl)CC(C)N1C
InChIInChI=1S/C15H21ClN2O/c1-11-9-18(10-12(2)17(11)3)15(19)8-13-6-4-5-7-14(13)16/h4-7,11-12H,8-10H2,1-3H3
InChIKeyZVXWZTDEPDHMHN-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.43
Rot. Bonds2

About 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone

2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone (PubChem CID 110662368) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
PubChem CID110662368
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccccc2Cl)CC(C)N1C
InChIInChI=1S/C15H21ClN2O/c1-11-9-18(10-12(2)17(11)3)15(19)8-13-6-4-5-7-14(13)16/h4-7,11-12H,8-10H2,1-3H3
InChIKeyZVXWZTDEPDHMHN-UHFFFAOYSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662366
(3S,4S)-1-[2-(2-chlorophenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98536830
2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one
CID 114499855
2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 146039419
2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63910205
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
2-(2-chlorophenyl)-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
CID 99903244
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone (CID 110662368) is 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone is CC1CN(C(=O)Cc2ccccc2Cl)CC(C)N1C.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
The InChIKey is ZVXWZTDEPDHMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-9-18(10-12(2)17(11)3)15(19)8-13-6-4-5-7-14(13)16/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone has a molecular weight of 280.80 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110662368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).