1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine

C13H22N2O — CID 142202936

IUPAC1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine
SMILESCOC1C/C=C\C/C=C(/N2CCNCC2)C1
InChIInChI=1S/C13H22N2O/c1-16-13-6-4-2-3-5-12(11-13)15-9-7-14-8-10-15/h2,4-5,13-14H,3,6-11H2,1H3/b4-2-,12-5+
InChIKeyCANDCGWORGNPDO-JWSHCYFASA-N
MW222.33 g/mol
LogP1.53
Rot. Bonds2

About 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine

1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine (PubChem CID 142202936) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine
PubChem CID142202936
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine
SMILESCOC1C/C=C\C/C=C(/N2CCNCC2)C1
InChIInChI=1S/C13H22N2O/c1-16-13-6-4-2-3-5-12(11-13)15-9-7-14-8-10-15/h2,4-5,13-14H,3,6-11H2,1H3/b4-2-,12-5+
InChIKeyCANDCGWORGNPDO-JWSHCYFASA-N
XLogP1.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine?
The IUPAC name of 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine (CID 142202936) is 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine.
What is the SMILES notation for 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine?
The canonical SMILES for 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine is COC1C/C=C\C/C=C(/N2CCNCC2)C1.
What is the InChIKey of 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine?
The InChIKey is CANDCGWORGNPDO-JWSHCYFASA-N. The full InChI is InChI=1S/C13H22N2O/c1-16-13-6-4-2-3-5-12(11-13)15-9-7-14-8-10-15/h2,4-5,13-14H,3,6-11H2,1H3/b4-2-,12-5+.
What are the key properties of 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine?
1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine has a molecular weight of 222.33 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,4Z)-7-methoxycycloocta-1,4-dien-1-yl]piperazine is sourced from PubChem (CID 142202936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).