1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

C18H36N2 — CID 64932045

IUPAC1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C2CCCC(C)C2C)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-7-18(6)12-20(17(11-19-18)13(2)3)16-10-8-9-14(4)15(16)5/h13-17,19H,7-12H2,1-6H3
InChIKeyHFBRIARSMRWJOX-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds3

About 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64932045) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64932045
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C2CCCC(C)C2C)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-7-18(6)12-20(17(11-19-18)13(2)3)16-10-8-9-14(4)15(16)5/h13-17,19H,7-12H2,1-6H3
InChIKeyHFBRIARSMRWJOX-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64931871
1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine
CID 64939777
5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 114551182
5,5-diethyl-1-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 64940929
5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine
CID 64953097
2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine
CID 82936177
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
5-cyclopropyl-1-(2,3-dimethylcyclohexyl)-2-ethyl-5-methylpiperazine
CID 64931862
5-ethyl-5-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylpiperazine
CID 64933642
5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235
1-(2,3-dimethylcyclohexyl)-2,5,5-trimethylpiperazine
CID 64932055
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (CID 64932045) is 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(C2CCCC(C)C2C)C(C(C)C)CN1.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is HFBRIARSMRWJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-7-18(6)12-20(17(11-19-18)13(2)3)16-10-8-9-14(4)15(16)5/h13-17,19H,7-12H2,1-6H3.
What are the key properties of 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64932045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).