1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine

C12H27N3O — CID 79659517

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1CN(C)CCN1C
InChIInChI=1S/C12H27N3O/c1-5-13-11(10-16-6-2)12-9-14(3)7-8-15(12)4/h11-13H,5-10H2,1-4H3
InChIKeyBHYFAJIWEGBCSX-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds6

About 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine

1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine (PubChem CID 79659517) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
PubChem CID79659517
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1CN(C)CCN1C
InChIInChI=1S/C12H27N3O/c1-5-13-11(10-16-6-2)12-9-14(3)7-8-15(12)4/h11-13H,5-10H2,1-4H3
InChIKeyBHYFAJIWEGBCSX-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine 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-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79658440
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 79658692
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
CID 79658524
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
CID 79659112
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658445
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 79659440
1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine
CID 79659606
2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658778
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79658853
1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine
CID 79659183
2-(2-chloro-6-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79664378
1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine
CID 79659340

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine (CID 79659517) is 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine?
The InChIKey is BHYFAJIWEGBCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-13-11(10-16-6-2)12-9-14(3)7-8-15(12)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine?
1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 79659517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).