2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine

C17H34N2O — CID 106458521

IUPAC2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CC(C)NCC1C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-14(2)13-20-10-9-19-12-15(3)18-11-17(19)16-7-5-4-6-8-16/h14-18H,4-13H2,1-3H3
InChIKeyMERWUOYBRSZJOC-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds6

About 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine

2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine (PubChem CID 106458521) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine
PubChem CID106458521
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CC(C)NCC1C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-14(2)13-20-10-9-19-12-15(3)18-11-17(19)16-7-5-4-6-8-16/h14-18H,4-13H2,1-3H3
InChIKeyMERWUOYBRSZJOC-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dicyclopropyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458819
2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458501
2-cyclohexyl-1-(3-ethoxypropyl)-5-methylpiperazine
CID 65177857
2-cyclopropyl-1-(2-methoxyethyl)-5-methylpiperazine
CID 64845102
2-cyclohexyl-5-methyl-1-pentylpiperazine
CID 64844371
2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64843977
2-cyclohexyl-5-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
CID 103141210
1-(2-cyclohexyloxyethyl)-2,5-dimethylpiperazine
CID 64939149
2-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64849325
1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 64845397
2-cyclohexyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83148151
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The IUPAC name of 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine (CID 106458521) is 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine.
What is the SMILES notation for 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The canonical SMILES for 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine is CC(C)COCCN1CC(C)NCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The InChIKey is MERWUOYBRSZJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)13-20-10-9-19-12-15(3)18-11-17(19)16-7-5-4-6-8-16/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine is sourced from PubChem (CID 106458521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).