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

C14H21ClN2O — CID 116829251

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine
SMILESCOc1cc(C)c(Cl)c(C)c1C1NCCNC1C
InChIInChI=1S/C14H21ClN2O/c1-8-7-11(18-4)12(9(2)13(8)15)14-10(3)16-5-6-17-14/h7,10,14,16-17H,5-6H2,1-4H3
InChIKeyPQGRDMILRZXPFM-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.59
Rot. Bonds2

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

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine (PubChem CID 116829251) 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)-3-methylpiperazine.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine
PubChem CID116829251
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine
SMILESCOc1cc(C)c(Cl)c(C)c1C1NCCNC1C
InChIInChI=1S/C14H21ClN2O/c1-8-7-11(18-4)12(9(2)13(8)15)14-10(3)16-5-6-17-14/h7,10,14,16-17H,5-6H2,1-4H3
InChIKeyPQGRDMILRZXPFM-UHFFFAOYSA-N
XLogP2.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
CID 82470889
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
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
CID 82305382
2-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 116829218
2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine
CID 116829294
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine (CID 116829251) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine is COc1cc(C)c(Cl)c(C)c1C1NCCNC1C.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine?
The InChIKey is PQGRDMILRZXPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-8-7-11(18-4)12(9(2)13(8)15)14-10(3)16-5-6-17-14/h7,10,14,16-17H,5-6H2,1-4H3.
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine has a molecular weight of 268.79 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 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)-3-methylpiperazine is sourced from PubChem (CID 116829251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).