1-hepta-2,4-dien-4-ylpiperazine

C11H20N2 — CID 123513416

IUPAC1-hepta-2,4-dien-4-ylpiperazine
SMILESCC=CC(=CCC)N1CCNCC1
InChIInChI=1S/C11H20N2/c1-3-5-11(6-4-2)13-9-7-12-8-10-13/h3,5-6,12H,4,7-10H2,1-2H3
InChIKeyBYUFPOQIEQDVLE-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.76
Rot. Bonds3

About 1-hepta-2,4-dien-4-ylpiperazine

1-hepta-2,4-dien-4-ylpiperazine (PubChem CID 123513416) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-hepta-2,4-dien-4-ylpiperazine.

Molecular Properties

Compound Name1-hepta-2,4-dien-4-ylpiperazine
PubChem CID123513416
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-hepta-2,4-dien-4-ylpiperazine
SMILESCC=CC(=CCC)N1CCNCC1
InChIInChI=1S/C11H20N2/c1-3-5-11(6-4-2)13-9-7-12-8-10-13/h3,5-6,12H,4,7-10H2,1-2H3
InChIKeyBYUFPOQIEQDVLE-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.76
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

N-methyltetrahydroquinoxaline
CID 129794484
1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(1S)-3-fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473881
3-Fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473979
(1S)-3-fluoro-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 89473983
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
1-(6-Fluorocyclohepta-1,6-dien-1-yl)piperazine
CID 123623423
4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine
CID 123637709
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
CID 142202920

Frequently Asked Questions

What is the IUPAC name of 1-hepta-2,4-dien-4-ylpiperazine?
The IUPAC name of 1-hepta-2,4-dien-4-ylpiperazine (CID 123513416) is 1-hepta-2,4-dien-4-ylpiperazine.
What is the SMILES notation for 1-hepta-2,4-dien-4-ylpiperazine?
The canonical SMILES for 1-hepta-2,4-dien-4-ylpiperazine is CC=CC(=CCC)N1CCNCC1.
What is the InChIKey of 1-hepta-2,4-dien-4-ylpiperazine?
The InChIKey is BYUFPOQIEQDVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-11(6-4-2)13-9-7-12-8-10-13/h3,5-6,12H,4,7-10H2,1-2H3.
What are the key properties of 1-hepta-2,4-dien-4-ylpiperazine?
1-hepta-2,4-dien-4-ylpiperazine has a molecular weight of 180.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-2,4-dien-4-ylpiperazine is sourced from PubChem (CID 123513416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).