1-(3,3-diethoxypropyl)-2,5-diethylpiperazine

C15H32N2O2 — CID 81093832

IUPAC1-(3,3-diethoxypropyl)-2,5-diethylpiperazine
SMILESCCOC(CCN1CC(CC)NCC1CC)OCC
InChIInChI=1S/C15H32N2O2/c1-5-13-12-17(14(6-2)11-16-13)10-9-15(18-7-3)19-8-4/h13-16H,5-12H2,1-4H3
InChIKeyKIPNHLMXJIRXMR-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.24
Rot. Bonds9

About 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine

1-(3,3-diethoxypropyl)-2,5-diethylpiperazine (PubChem CID 81093832) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-2,5-diethylpiperazine
PubChem CID81093832
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-(3,3-diethoxypropyl)-2,5-diethylpiperazine
SMILESCCOC(CCN1CC(CC)NCC1CC)OCC
InChIInChI=1S/C15H32N2O2/c1-5-13-12-17(14(6-2)11-16-13)10-9-15(18-7-3)19-8-4/h13-16H,5-12H2,1-4H3
InChIKeyKIPNHLMXJIRXMR-UHFFFAOYSA-N
XLogP2.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine?
The IUPAC name of 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine (CID 81093832) is 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine?
The canonical SMILES for 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine is CCOC(CCN1CC(CC)NCC1CC)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine?
The InChIKey is KIPNHLMXJIRXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-13-12-17(14(6-2)11-16-13)10-9-15(18-7-3)19-8-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine?
1-(3,3-diethoxypropyl)-2,5-diethylpiperazine has a molecular weight of 272.43 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-2,5-diethylpiperazine is sourced from PubChem (CID 81093832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).