1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine

C13H18N2 — CID 89319652

IUPAC1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine
SMILESC/C1=C(N2CCNCC2)/C=C\C=C=CC1
InChIInChI=1S/C13H18N2/c1-12-6-4-2-3-5-7-13(12)15-10-8-14-9-11-15/h3-5,7,14H,6,8-11H2,1H3/b7-5-,13-12+
InChIKeyWZKUVCLTPDMZIL-XPGGPLQJSA-N
MW202.30 g/mol
LogP1.84
Rot. Bonds1

About 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine

1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine (PubChem CID 89319652) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine.

Molecular Properties

Compound Name1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine
PubChem CID89319652
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine
SMILESC/C1=C(N2CCNCC2)/C=C\C=C=CC1
InChIInChI=1S/C13H18N2/c1-12-6-4-2-3-5-7-13(12)15-10-8-14-9-11-15/h3-5,7,14H,6,8-11H2,1H3/b7-5-,13-12+
InChIKeyWZKUVCLTPDMZIL-XPGGPLQJSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine?
The IUPAC name of 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine (CID 89319652) is 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine.
What is the SMILES notation for 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine?
The canonical SMILES for 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine is C/C1=C(N2CCNCC2)/C=C\C=C=CC1.
What is the InChIKey of 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine?
The InChIKey is WZKUVCLTPDMZIL-XPGGPLQJSA-N. The full InChI is InChI=1S/C13H18N2/c1-12-6-4-2-3-5-7-13(12)15-10-8-14-9-11-15/h3-5,7,14H,6,8-11H2,1H3/b7-5-,13-12+.
What are the key properties of 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine?
1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine has a molecular weight of 202.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,7Z)-2-methylcycloocta-1,4,5,7-tetraen-1-yl]piperazine is sourced from PubChem (CID 89319652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).