5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine

C18H28N2 — CID 64932628

IUPAC5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1cc(C)cc(C)c1
InChIInChI=1S/C18H28N2/c1-5-16-11-19-18(4,15-6-7-15)12-20(16)17-9-13(2)8-14(3)10-17/h8-10,15-16,19H,5-7,11-12H2,1-4H3
InChIKeyQAGPIWIQJKUQIH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.66
Rot. Bonds3

About 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine

5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine (PubChem CID 64932628) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
PubChem CID64932628
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1cc(C)cc(C)c1
InChIInChI=1S/C18H28N2/c1-5-16-11-19-18(4,15-6-7-15)12-20(16)17-9-13(2)8-14(3)10-17/h8-10,15-16,19H,5-7,11-12H2,1-4H3
InChIKeyQAGPIWIQJKUQIH-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64933328
1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 107617330
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64946263
1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64935659
5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64934102
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane
CID 64943908
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propylphenyl)piperazine
CID 64945723
1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64934912
1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64935066
1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine
CID 107579892
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine (CID 64932628) is 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine is CCC1CNC(C)(C2CC2)CN1c1cc(C)cc(C)c1.
What is the InChIKey of 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine?
The InChIKey is QAGPIWIQJKUQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-5-16-11-19-18(4,15-6-7-15)12-20(16)17-9-13(2)8-14(3)10-17/h8-10,15-16,19H,5-7,11-12H2,1-4H3.
What are the key properties of 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine?
5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 64932628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).