5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine

C18H36N2 — CID 64936600

IUPAC5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
SMILESCCCC1CCC(N2CC(C(C)CC)NCC2C)CC1
InChIInChI=1S/C18H36N2/c1-5-7-16-8-10-17(11-9-16)20-13-18(14(3)6-2)19-12-15(20)4/h14-19H,5-13H2,1-4H3
InChIKeyUWDLMGZSJLMXDG-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds5

About 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine

5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine (PubChem CID 64936600) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
PubChem CID64936600
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
SMILESCCCC1CCC(N2CC(C(C)CC)NCC2C)CC1
InChIInChI=1S/C18H36N2/c1-5-7-16-8-10-17(11-9-16)20-13-18(14(3)6-2)19-12-15(20)4/h14-19H,5-13H2,1-4H3
InChIKeyUWDLMGZSJLMXDG-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
CID 107415555
5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 79878573
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64937377
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
2-propan-2-yl-5-propyl-1-(4-propylcyclohexyl)piperazine
CID 64946683
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937106
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine (CID 64936600) is 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine is CCCC1CCC(N2CC(C(C)CC)NCC2C)CC1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine?
The InChIKey is UWDLMGZSJLMXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-7-16-8-10-17(11-9-16)20-13-18(14(3)6-2)19-12-15(20)4/h14-19H,5-13H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine?
5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine is sourced from PubChem (CID 64936600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).