1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine

C13H22N2 — CID 142817935

IUPAC1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine
SMILESCC/C=C\C(C)=C/C=C/N1CCNCC1
InChIInChI=1S/C13H22N2/c1-3-4-6-13(2)7-5-10-15-11-8-14-9-12-15/h4-7,10,14H,3,8-9,11-12H2,1-2H3/b6-4-,10-5+,13-7-
InChIKeyAKTNHYBFCOZRDZ-VALXZISOSA-N
MW206.33 g/mol
LogP2.32
Rot. Bonds4

About 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine

1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine (PubChem CID 142817935) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine.

Molecular Properties

Compound Name1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine
PubChem CID142817935
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine
SMILESCC/C=C\C(C)=C/C=C/N1CCNCC1
InChIInChI=1S/C13H22N2/c1-3-4-6-13(2)7-5-10-15-11-8-14-9-12-15/h4-7,10,14H,3,8-9,11-12H2,1-2H3/b6-4-,10-5+,13-7-
InChIKeyAKTNHYBFCOZRDZ-VALXZISOSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 142152683
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
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1-(5-Fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)piperazine
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1-[(3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-yl]piperazine
CID 144750404
1-[(1Z,3Z)-4-ethyl-1-fluorohexa-1,3,5-trienyl]piperazine
CID 156792123
1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine
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3-methyl-2-piperazin-1-yl-1H-azepine
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1-[(E)-3-methylpent-2-enyl]piperazine
CID 22628662
1-But-1-enylpiperazine
CID 53812463
1-Hexa-3,5-dienylpiperazine
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CID 55287402

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine?
The IUPAC name of 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine (CID 142817935) is 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine.
What is the SMILES notation for 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine?
The canonical SMILES for 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine is CC/C=C\C(C)=C/C=C/N1CCNCC1.
What is the InChIKey of 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine?
The InChIKey is AKTNHYBFCOZRDZ-VALXZISOSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-6-13(2)7-5-10-15-11-8-14-9-12-15/h4-7,10,14H,3,8-9,11-12H2,1-2H3/b6-4-,10-5+,13-7-.
What are the key properties of 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine?
1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine has a molecular weight of 206.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3Z,5Z)-4-methylocta-1,3,5-trienyl]piperazine is sourced from PubChem (CID 142817935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).