2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine

C14H21ClN2O — CID 116856400

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine
SMILESCOc1cc(C)c(C2CN(C)CCN2C)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-7-14(18-4)12(15)8-11(10)13-9-16(2)5-6-17(13)3/h7-8,13H,5-6,9H2,1-4H3
InChIKeyFDQJOLPVJTYRJJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.58
Rot. Bonds2

About 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine

2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine (PubChem CID 116856400) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine
PubChem CID116856400
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine
SMILESCOc1cc(C)c(C2CN(C)CCN2C)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-7-14(18-4)12(15)8-11(10)13-9-16(2)5-6-17(13)3/h7-8,13H,5-6,9H2,1-4H3
InChIKeyFDQJOLPVJTYRJJ-UHFFFAOYSA-N
XLogP2.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,5-dichloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467090
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane
CID 116863456
5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172466
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole
CID 59274116
2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
CID 116856393
1-chloro-5-iodo-2-methoxy-4-methylbenzene
CID 70931532
2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
CID 82282154
[5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117481351

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine (CID 116856400) is 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine is COc1cc(C)c(C2CN(C)CCN2C)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine?
The InChIKey is FDQJOLPVJTYRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-7-14(18-4)12(15)8-11(10)13-9-16(2)5-6-17(13)3/h7-8,13H,5-6,9H2,1-4H3.
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine?
2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine has a molecular weight of 268.79 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine is sourced from PubChem (CID 116856400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).