1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine

C15H23ClN2 — CID 64933334

IUPAC1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1cccc(Cl)c1C
InChIInChI=1S/C15H23ClN2/c1-5-12-9-17-15(3,4)10-18(12)14-8-6-7-13(16)11(14)2/h6-8,12,17H,5,9-10H2,1-4H3
InChIKeyCWNYEQDSXHRWKZ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.62
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine

1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64933334) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
PubChem CID64933334
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1cccc(Cl)c1C
InChIInChI=1S/C15H23ClN2/c1-5-12-9-17-15(3,4)10-18(12)14-8-6-7-13(16)11(14)2/h6-8,12,17H,5,9-10H2,1-4H3
InChIKeyCWNYEQDSXHRWKZ-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
CID 64936902
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine
CID 64946133
2-ethyl-1-[2-(methoxymethyl)phenyl]-5,5-dimethylpiperazine
CID 64946267
1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64936226
1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64934912
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine
CID 64941408
5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline
CID 116785639
1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64935066
1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64934684
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64947274

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine (CID 64933334) is 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is CWNYEQDSXHRWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-5-12-9-17-15(3,4)10-18(12)14-8-6-7-13(16)11(14)2/h6-8,12,17H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine?
1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 266.82 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64933334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).