1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

C16H23ClN2O2 — CID 93193413

IUPAC1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C16H23ClN2O2/c1-11-9-14(21-4)15(12(2)16(11)17)13(20)10-19-7-5-18(3)6-8-19/h9H,5-8,10H2,1-4H3
InChIKeyJSOVLRVJLLXACG-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.40
Rot. Bonds4

About 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 93193413) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID93193413
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C16H23ClN2O2/c1-11-9-14(21-4)15(12(2)16(11)17)13(20)10-19-7-5-18(3)6-8-19/h9H,5-8,10H2,1-4H3
InChIKeyJSOVLRVJLLXACG-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone
CID 82053366
1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861684
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193340
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 82053056
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone
CID 82554124
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 93193413) is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is COc1cc(C)c(Cl)c(C)c1C(=O)CN1CCN(C)CC1.
What is the InChIKey of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is JSOVLRVJLLXACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11-9-14(21-4)15(12(2)16(11)17)13(20)10-19-7-5-18(3)6-8-19/h9H,5-8,10H2,1-4H3.
What are the key properties of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 310.83 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 93193413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).