1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine

C14H24N2O3 — CID 70488703

IUPAC1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine
SMILESCCOC1(OC)C=CC(N2CCNCC2)=CC1OC
InChIInChI=1S/C14H24N2O3/c1-4-19-14(18-3)6-5-12(11-13(14)17-2)16-9-7-15-8-10-16/h5-6,11,13,15H,4,7-10H2,1-3H3
InChIKeyVZBKKUIDYQYEOW-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.74
Rot. Bonds5

About 1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine

1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 70488703) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine
PubChem CID70488703
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine
SMILESCCOC1(OC)C=CC(N2CCNCC2)=CC1OC
InChIInChI=1S/C14H24N2O3/c1-4-19-14(18-3)6-5-12(11-13(14)17-2)16-9-7-15-8-10-16/h5-6,11,13,15H,4,7-10H2,1-3H3
InChIKeyVZBKKUIDYQYEOW-UHFFFAOYSA-N
XLogP0.74
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine (CID 70488703) is 1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine is CCOC1(OC)C=CC(N2CCNCC2)=CC1OC.
What is the InChIKey of 1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is VZBKKUIDYQYEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-19-14(18-3)6-5-12(11-13(14)17-2)16-9-7-15-8-10-16/h5-6,11,13,15H,4,7-10H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine?
1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 268.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3,4-dimethoxycyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 70488703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).