1-penta-1,3-dien-3-ylpiperazine

C9H16N2 — CID 91375372

IUPAC1-penta-1,3-dien-3-ylpiperazine
SMILESC=CC(=CC)N1CCNCC1
InChIInChI=1S/C9H16N2/c1-3-9(4-2)11-7-5-10-6-8-11/h3-4,10H,1,5-8H2,2H3
InChIKeySLSYKDQDPBZURR-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.98
Rot. Bonds2

About 1-penta-1,3-dien-3-ylpiperazine

1-penta-1,3-dien-3-ylpiperazine (PubChem CID 91375372) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-penta-1,3-dien-3-ylpiperazine.

Molecular Properties

Compound Name1-penta-1,3-dien-3-ylpiperazine
PubChem CID91375372
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-penta-1,3-dien-3-ylpiperazine
SMILESC=CC(=CC)N1CCNCC1
InChIInChI=1S/C9H16N2/c1-3-9(4-2)11-7-5-10-6-8-11/h3-4,10H,1,5-8H2,2H3
InChIKeySLSYKDQDPBZURR-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.98
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

1-(4-Fluorohexa-2,4-dien-3-yl)piperazine
CID 123849712
(2S)-1-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-2-methylpiperazine
CID 129212975
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine
CID 143054123
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292
1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine
CID 143848920
1-(3-Fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine
CID 174193896
1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine
CID 175963246
1-(6-fluoro-1-methyl-2H-pyridin-5-yl)piperazine
CID 176689340
N'-ethyl-N'-[(2Z,4Z)-2-fluorohepta-2,4,6-trien-3-yl]-N-methylethane-1,2-diamine
CID 142272191

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,3-dien-3-ylpiperazine?
The IUPAC name of 1-penta-1,3-dien-3-ylpiperazine (CID 91375372) is 1-penta-1,3-dien-3-ylpiperazine.
What is the SMILES notation for 1-penta-1,3-dien-3-ylpiperazine?
The canonical SMILES for 1-penta-1,3-dien-3-ylpiperazine is C=CC(=CC)N1CCNCC1.
What is the InChIKey of 1-penta-1,3-dien-3-ylpiperazine?
The InChIKey is SLSYKDQDPBZURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-9(4-2)11-7-5-10-6-8-11/h3-4,10H,1,5-8H2,2H3.
What are the key properties of 1-penta-1,3-dien-3-ylpiperazine?
1-penta-1,3-dien-3-ylpiperazine has a molecular weight of 152.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,3-dien-3-ylpiperazine is sourced from PubChem (CID 91375372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).