2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone

C14H19ClN2O — CID 110707760

IUPAC2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C)CCN1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-11-10-16(2)7-8-17(11)14(18)9-12-3-5-13(15)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyIDRMKYLGQFCKFZ-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.05
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone

2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone (PubChem CID 110707760) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
PubChem CID110707760
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C)CCN1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-11-10-16(2)7-8-17(11)14(18)9-12-3-5-13(15)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyIDRMKYLGQFCKFZ-UHFFFAOYSA-N
XLogP2.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazine-1-carboxylic acid
CID 69250292
tert-butyl 4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazine-1-carboxylate
CID 75631900
2-[4-chloro-2-[[4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]phenyl]acetic acid
CID 73306092
1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110707809
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269
2-(3-aminophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 114085754
1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 110707794
2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707765
(3R)-4-[2-[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetyl]-3-methylpiperazine-1-carboxylic acid
CID 170159328
2-(4-chlorophenyl)-1-[(2S)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 141146785
1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine
CID 110707864
1-[2-(4-chlorophenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364498

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone (CID 110707760) is 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone is CC1CN(C)CCN1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
The InChIKey is IDRMKYLGQFCKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11-10-16(2)7-8-17(11)14(18)9-12-3-5-13(15)6-4-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone has a molecular weight of 266.77 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110707760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).