1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine

C18H38N2O2 — CID 134579256

IUPAC1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine
SMILESCOCCCCCN1CCN(CCOCCCC(C)C)CC1
InChIInChI=1S/C18H38N2O2/c1-18(2)8-7-16-22-17-14-20-12-10-19(11-13-20)9-5-4-6-15-21-3/h18H,4-17H2,1-3H3
InChIKeySCVHDJHYOBRQPL-UHFFFAOYSA-N
MW314.51 g/mol
LogP2.87
Rot. Bonds13

About 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine

1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine (PubChem CID 134579256) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine
PubChem CID134579256
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Name1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine
SMILESCOCCCCCN1CCN(CCOCCCC(C)C)CC1
InChIInChI=1S/C18H38N2O2/c1-18(2)8-7-16-22-17-14-20-12-10-19(11-13-20)9-5-4-6-15-21-3/h18H,4-17H2,1-3H3
InChIKeySCVHDJHYOBRQPL-UHFFFAOYSA-N
XLogP2.87
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine?
The IUPAC name of 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine (CID 134579256) is 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine.
What is the SMILES notation for 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine?
The canonical SMILES for 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine is COCCCCCN1CCN(CCOCCCC(C)C)CC1.
What is the InChIKey of 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine?
The InChIKey is SCVHDJHYOBRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-18(2)8-7-16-22-17-14-20-12-10-19(11-13-20)9-5-4-6-15-21-3/h18H,4-17H2,1-3H3.
What are the key properties of 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine?
1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine has a molecular weight of 314.51 g/mol, XLogP of 2.87, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypentyl)-4-[2-(4-methylpentoxy)ethyl]piperazine is sourced from PubChem (CID 134579256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).