1-(2,2-dimethoxyethyl)piperazine

C8H18N2O2 — CID 45099607

IUPAC1-(2,2-dimethoxyethyl)piperazine
SMILESCOC(CN1CCNCC1)OC
InChIInChI=1S/C8H18N2O2/c1-11-8(12-2)7-10-5-3-9-4-6-10/h8-9H,3-7H2,1-2H3
InChIKeyUEOCHFHHZPPAPA-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.49
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)piperazine

1-(2,2-dimethoxyethyl)piperazine (PubChem CID 45099607) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)piperazine.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)piperazine
PubChem CID45099607
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(2,2-dimethoxyethyl)piperazine
SMILESCOC(CN1CCNCC1)OC
InChIInChI=1S/C8H18N2O2/c1-11-8(12-2)7-10-5-3-9-4-6-10/h8-9H,3-7H2,1-2H3
InChIKeyUEOCHFHHZPPAPA-UHFFFAOYSA-N
XLogP-0.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.49
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-dimethoxyethyl)piperazine?
The IUPAC name of 1-(2,2-dimethoxyethyl)piperazine (CID 45099607) is 1-(2,2-dimethoxyethyl)piperazine.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)piperazine?
The canonical SMILES for 1-(2,2-dimethoxyethyl)piperazine is COC(CN1CCNCC1)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)piperazine?
The InChIKey is UEOCHFHHZPPAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-11-8(12-2)7-10-5-3-9-4-6-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethyl)piperazine?
1-(2,2-dimethoxyethyl)piperazine has a molecular weight of 174.24 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)piperazine is sourced from PubChem (CID 45099607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).