1-(diethoxymethyl)-4-methylpiperazine

C10H22N2O2 — CID 22167370

IUPAC1-(diethoxymethyl)-4-methylpiperazine
SMILESCCOC(OCC)N1CCN(C)CC1
InChIInChI=1S/C10H22N2O2/c1-4-13-10(14-5-2)12-8-6-11(3)7-9-12/h10H,4-9H2,1-3H3
InChIKeySJROHVOJUNQTST-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.59
Rot. Bonds5

About 1-(diethoxymethyl)-4-methylpiperazine

1-(diethoxymethyl)-4-methylpiperazine (PubChem CID 22167370) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(diethoxymethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(diethoxymethyl)-4-methylpiperazine
PubChem CID22167370
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(diethoxymethyl)-4-methylpiperazine
SMILESCCOC(OCC)N1CCN(C)CC1
InChIInChI=1S/C10H22N2O2/c1-4-13-10(14-5-2)12-8-6-11(3)7-9-12/h10H,4-9H2,1-3H3
InChIKeySJROHVOJUNQTST-UHFFFAOYSA-N
XLogP0.59
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.59
H-Bond Donors ≤ 50
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-(diethoxymethyl)-4-methylpiperazine?
The IUPAC name of 1-(diethoxymethyl)-4-methylpiperazine (CID 22167370) is 1-(diethoxymethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(diethoxymethyl)-4-methylpiperazine?
The canonical SMILES for 1-(diethoxymethyl)-4-methylpiperazine is CCOC(OCC)N1CCN(C)CC1.
What is the InChIKey of 1-(diethoxymethyl)-4-methylpiperazine?
The InChIKey is SJROHVOJUNQTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-13-10(14-5-2)12-8-6-11(3)7-9-12/h10H,4-9H2,1-3H3.
What are the key properties of 1-(diethoxymethyl)-4-methylpiperazine?
1-(diethoxymethyl)-4-methylpiperazine has a molecular weight of 202.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-4-methylpiperazine is sourced from PubChem (CID 22167370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).