2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine

C14H21ClN2O — CID 82305382

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
SMILESCOc1cc(C)c(Cl)c(C)c1C1CNCCN1C
InChIInChI=1S/C14H21ClN2O/c1-9-7-12(18-4)13(10(2)14(9)15)11-8-16-5-6-17(11)3/h7,11,16H,5-6,8H2,1-4H3
InChIKeyMMPIBNQFDIPNLN-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.54
Rot. Bonds2

About 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine (PubChem CID 82305382) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
PubChem CID82305382
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
SMILESCOc1cc(C)c(Cl)c(C)c1C1CNCCN1C
InChIInChI=1S/C14H21ClN2O/c1-9-7-12(18-4)13(10(2)14(9)15)11-8-16-5-6-17(11)3/h7,11,16H,5-6,8H2,1-4H3
InChIKeyMMPIBNQFDIPNLN-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
CID 82470889
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine
CID 116829251
6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole
CID 84637866
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one
CID 82305275
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane
CID 116863468
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole
CID 82666813
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928060

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine (CID 82305382) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine is COc1cc(C)c(Cl)c(C)c1C1CNCCN1C.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine?
The InChIKey is MMPIBNQFDIPNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9-7-12(18-4)13(10(2)14(9)15)11-8-16-5-6-17(11)3/h7,11,16H,5-6,8H2,1-4H3.
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine has a molecular weight of 268.79 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine is sourced from PubChem (CID 82305382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).