1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine

C15H32N2O2 — CID 138647904

IUPAC1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine
SMILESCOCCN1CCN(CCOCCCC(C)C)CC1
InChIInChI=1S/C15H32N2O2/c1-15(2)5-4-12-19-14-11-17-8-6-16(7-9-17)10-13-18-3/h15H,4-14H2,1-3H3
InChIKeyBZRXCSROBSQKJP-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.70
Rot. Bonds10

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

1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine (PubChem CID 138647904) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine
PubChem CID138647904
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine
SMILESCOCCN1CCN(CCOCCCC(C)C)CC1
InChIInChI=1S/C15H32N2O2/c1-15(2)5-4-12-19-14-11-17-8-6-16(7-9-17)10-13-18-3/h15H,4-14H2,1-3H3
InChIKeyBZRXCSROBSQKJP-UHFFFAOYSA-N
XLogP1.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.70
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-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine (CID 138647904) is 1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine is COCCN1CCN(CCOCCCC(C)C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine?
The InChIKey is BZRXCSROBSQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-15(2)5-4-12-19-14-11-17-8-6-16(7-9-17)10-13-18-3/h15H,4-14H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine?
1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine has a molecular weight of 272.43 g/mol, XLogP of 1.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine is sourced from PubChem (CID 138647904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).