2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine

C18H36N2 — CID 64840300

IUPAC2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine
SMILESCCCCCCN1CC(C)(C)NCC1C1CCCCC1
InChIInChI=1S/C18H36N2/c1-4-5-6-10-13-20-15-18(2,3)19-14-17(20)16-11-8-7-9-12-16/h16-17,19H,4-15H2,1-3H3
InChIKeyJFQBPOGQPUTGPY-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds6

About 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine

2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine (PubChem CID 64840300) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine
PubChem CID64840300
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine
SMILESCCCCCCN1CC(C)(C)NCC1C1CCCCC1
InChIInChI=1S/C18H36N2/c1-4-5-6-10-13-20-15-18(2,3)19-14-17(20)16-11-8-7-9-12-16/h16-17,19H,4-15H2,1-3H3
InChIKeyJFQBPOGQPUTGPY-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-1-(2-fluoroethyl)-5,5-dimethylpiperazine
CID 80698025
2,5-dicyclopropyl-5-methyl-1-pentylpiperazine
CID 64877520
2-cyclohexyl-1-hexylpiperazine
CID 64846644
1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine
CID 107897937
2-cyclohexyl-5-methyl-1-pentylpiperazine
CID 64844371
2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64838935
2-cyclohexyl-5-ethyl-5-methyl-1-(4-methylpentyl)piperazine
CID 83148532
2-cyclopropyl-5,5-dimethyl-1-(2-methylpentyl)piperazine
CID 64839324
2-cyclohexyl-5-cyclopropyl-1-(3-methoxypropyl)-5-methylpiperazine
CID 64877905
1-butyl-2-cyclohexyl-5-cyclopropylpiperazine
CID 64861672
1-cycloheptyl-2-cyclopropyl-5,5-dimethylpiperazine
CID 82936766
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64838733

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine?
The IUPAC name of 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine (CID 64840300) is 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine.
What is the SMILES notation for 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine?
The canonical SMILES for 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine is CCCCCCN1CC(C)(C)NCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine?
The InChIKey is JFQBPOGQPUTGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-5-6-10-13-20-15-18(2,3)19-14-17(20)16-11-8-7-9-12-16/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine?
2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64840300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).