2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine

C16H32N2O — CID 104650225

IUPAC2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine
SMILESCOCCCCN1CC(CC(C)C)NCC1C1CC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-15-12-18(8-4-5-9-19-3)16(11-17-15)14-6-7-14/h13-17H,4-12H2,1-3H3
InChIKeyJAKWHHKGIQNALE-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds8

About 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine

2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine (PubChem CID 104650225) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine
PubChem CID104650225
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine
SMILESCOCCCCN1CC(CC(C)C)NCC1C1CC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-15-12-18(8-4-5-9-19-3)16(11-17-15)14-6-7-14/h13-17H,4-12H2,1-3H3
InChIKeyJAKWHHKGIQNALE-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
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-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64849325
2-cyclopropyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
CID 64849713
2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine
CID 104650306
2-cyclopropyl-5-(2-methylpropyl)-1-(2-phenylethyl)piperazine
CID 64849130
5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414273
2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64850098
2-cyclopropyl-1-(2-methoxyethyl)-5-methylpiperazine
CID 64845102
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200
2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine
CID 103141376
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
2-cyclohexyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83148151
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine (CID 104650225) is 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine is COCCCCN1CC(CC(C)C)NCC1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine?
The InChIKey is JAKWHHKGIQNALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)10-15-12-18(8-4-5-9-19-3)16(11-17-15)14-6-7-14/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine?
2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 104650225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).