1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine

C12H20N2O — CID 70790710

IUPAC1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine
SMILESCCOC1=C(N2CCNCC2)CCC=C1
InChIInChI=1S/C12H20N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h4,6,13H,2-3,5,7-10H2,1H3
InChIKeyOJCQYVUWIDCJIQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.49
Rot. Bonds3

About 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine

1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine (PubChem CID 70790710) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine
PubChem CID70790710
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine
SMILESCCOC1=C(N2CCNCC2)CCC=C1
InChIInChI=1S/C12H20N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h4,6,13H,2-3,5,7-10H2,1H3
InChIKeyOJCQYVUWIDCJIQ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine?
The IUPAC name of 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine (CID 70790710) is 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine.
What is the SMILES notation for 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine?
The canonical SMILES for 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine is CCOC1=C(N2CCNCC2)CCC=C1.
What is the InChIKey of 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine?
The InChIKey is OJCQYVUWIDCJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h4,6,13H,2-3,5,7-10H2,1H3.
What are the key properties of 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine?
1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine has a molecular weight of 208.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxycyclohexa-1,3-dien-1-yl)piperazine is sourced from PubChem (CID 70790710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).