1-(1,1-dimethoxyethyl)-4-ethylpiperazine

C10H22N2O2 — CID 134891732

IUPAC1-(1,1-dimethoxyethyl)-4-ethylpiperazine
SMILESCCN1CCN(C(C)(OC)OC)CC1
InChIInChI=1S/C10H22N2O2/c1-5-11-6-8-12(9-7-11)10(2,13-3)14-4/h5-9H2,1-4H3
InChIKeyKZAOEQCPUHVQBE-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.59
Rot. Bonds4

About 1-(1,1-dimethoxyethyl)-4-ethylpiperazine

1-(1,1-dimethoxyethyl)-4-ethylpiperazine (PubChem CID 134891732) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(1,1-dimethoxyethyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(1,1-dimethoxyethyl)-4-ethylpiperazine
PubChem CID134891732
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(1,1-dimethoxyethyl)-4-ethylpiperazine
SMILESCCN1CCN(C(C)(OC)OC)CC1
InChIInChI=1S/C10H22N2O2/c1-5-11-6-8-12(9-7-11)10(2,13-3)14-4/h5-9H2,1-4H3
InChIKeyKZAOEQCPUHVQBE-UHFFFAOYSA-N
XLogP0.59
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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'}

Analyze 1-(1,1-dimethoxyethyl)-4-ethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Bis(methoxymethyl)piperazine
CID 15759078
1-(Dimethoxymethyl)-4-methylpiperazine
CID 13117361
N,N'-bis(ethyloxymethyl)piperazine
CID 13776783
1-(1,1-Dimethoxyethyl)-4-methylpiperazine
CID 71404446
1-Methyl-4-(diethoxymethyl)piperazine
CID 22167370
1,4-Dimethylpiperazine;1-ethoxy-1-methoxyethane
CID 54383463
1-Ethyl-4-(methoxymethyl)piperazine
CID 57609461
1-(1-Methoxyethyl)-4-methylpiperazine
CID 58431774
1-(2,2-Dimethoxyethyl)-4-ethylpiperazine
CID 66221021
1-(2,2-Dimethoxyethyl)-4-methylpiperazine
CID 66221240
1-(Methoxymethyl)-1,4-dimethylpiperazin-1-ium
CID 69235163
1,4-Bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium
CID 69235185

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxyethyl)-4-ethylpiperazine?
The IUPAC name of 1-(1,1-dimethoxyethyl)-4-ethylpiperazine (CID 134891732) is 1-(1,1-dimethoxyethyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(1,1-dimethoxyethyl)-4-ethylpiperazine?
The canonical SMILES for 1-(1,1-dimethoxyethyl)-4-ethylpiperazine is CCN1CCN(C(C)(OC)OC)CC1.
What is the InChIKey of 1-(1,1-dimethoxyethyl)-4-ethylpiperazine?
The InChIKey is KZAOEQCPUHVQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-11-6-8-12(9-7-11)10(2,13-3)14-4/h5-9H2,1-4H3.
What are the key properties of 1-(1,1-dimethoxyethyl)-4-ethylpiperazine?
1-(1,1-dimethoxyethyl)-4-ethylpiperazine has a molecular weight of 202.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxyethyl)-4-ethylpiperazine is sourced from PubChem (CID 134891732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).