1-(2,2-diethoxyethyl)piperazine

C10H22N2O2 — CID 2737392

IUPAC1-(2,2-diethoxyethyl)piperazine
SMILESCCOC(CN1CCNCC1)OCC
InChIInChI=1S/C10H22N2O2/c1-3-13-10(14-4-2)9-12-7-5-11-6-8-12/h10-11H,3-9H2,1-2H3
InChIKeyVHGGJFCLQZMVGS-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.29
Rot. Bonds6

About 1-(2,2-diethoxyethyl)piperazine

1-(2,2-diethoxyethyl)piperazine (PubChem CID 2737392) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)piperazine.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)piperazine
PubChem CID2737392
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(2,2-diethoxyethyl)piperazine
SMILESCCOC(CN1CCNCC1)OCC
InChIInChI=1S/C10H22N2O2/c1-3-13-10(14-4-2)9-12-7-5-11-6-8-12/h10-11H,3-9H2,1-2H3
InChIKeyVHGGJFCLQZMVGS-UHFFFAOYSA-N
XLogP0.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.29
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-(2,2-diethoxyethyl)piperazine?
The IUPAC name of 1-(2,2-diethoxyethyl)piperazine (CID 2737392) is 1-(2,2-diethoxyethyl)piperazine.
What is the SMILES notation for 1-(2,2-diethoxyethyl)piperazine?
The canonical SMILES for 1-(2,2-diethoxyethyl)piperazine is CCOC(CN1CCNCC1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)piperazine?
The InChIKey is VHGGJFCLQZMVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-13-10(14-4-2)9-12-7-5-11-6-8-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(2,2-diethoxyethyl)piperazine?
1-(2,2-diethoxyethyl)piperazine has a molecular weight of 202.30 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)piperazine is sourced from PubChem (CID 2737392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).