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

C18H34N2O — CID 104650306

IUPAC2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine
SMILESCOCCCCN1CC(C2CC2)NCC1C1CCCCC1
InChIInChI=1S/C18H34N2O/c1-21-12-6-5-11-20-14-17(15-9-10-15)19-13-18(20)16-7-3-2-4-8-16/h15-19H,2-14H2,1H3
InChIKeyKPVCQAYDRXRVPE-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.05
Rot. Bonds7

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

2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine (PubChem CID 104650306) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine.

Molecular Properties

Compound Name2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine
PubChem CID104650306
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine
SMILESCOCCCCN1CC(C2CC2)NCC1C1CCCCC1
InChIInChI=1S/C18H34N2O/c1-21-12-6-5-11-20-14-17(15-9-10-15)19-13-18(20)16-7-3-2-4-8-16/h15-19H,2-14H2,1H3
InChIKeyKPVCQAYDRXRVPE-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine?
The IUPAC name of 2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine (CID 104650306) is 2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine.
What is the SMILES notation for 2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine?
The canonical SMILES for 2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine is COCCCCN1CC(C2CC2)NCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine?
The InChIKey is KPVCQAYDRXRVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-21-12-6-5-11-20-14-17(15-9-10-15)19-13-18(20)16-7-3-2-4-8-16/h15-19H,2-14H2,1H3.
What are the key properties of 2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine?
2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine has a molecular weight of 294.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine is sourced from PubChem (CID 104650306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).