1-buta-1,3-dien-2-yl-4-propylpiperazine

C11H20N2 — CID 143504867

IUPAC1-buta-1,3-dien-2-yl-4-propylpiperazine
SMILESC=CC(=C)N1CCN(CCC)CC1
InChIInChI=1S/C11H20N2/c1-4-6-12-7-9-13(10-8-12)11(3)5-2/h5H,2-4,6-10H2,1H3
InChIKeySNKNVJQKQNHLQI-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.71
Rot. Bonds4

About 1-buta-1,3-dien-2-yl-4-propylpiperazine

1-buta-1,3-dien-2-yl-4-propylpiperazine (PubChem CID 143504867) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-4-propylpiperazine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-4-propylpiperazine
PubChem CID143504867
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-buta-1,3-dien-2-yl-4-propylpiperazine
SMILESC=CC(=C)N1CCN(CCC)CC1
InChIInChI=1S/C11H20N2/c1-4-6-12-7-9-13(10-8-12)11(3)5-2/h5H,2-4,6-10H2,1H3
InChIKeySNKNVJQKQNHLQI-UHFFFAOYSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
1,4-Dipropenylpiperazine
CID 134821216
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 174194314
1-Prop-2-enyl-4-propylpiperazine
CID 13460160
1-Propan-2-yl-4-prop-2-enylpiperazine
CID 20613816
1-Pentan-3-yl-4-prop-2-enylpiperazine
CID 20735227
1-Butyl-4-prop-2-enylpiperazine
CID 144889573
1-Butan-2-yl-4-prop-2-enylpiperazine
CID 166800367
(2R,5S)-2,5-Dimethyl-1,4-di(prop-2-en-1-yl)piperazine
CID 29977824
2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
CID 144656760
1-[(1E)-1,3-butadienyl]-4-methylpiperazine
CID 15665727

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-4-propylpiperazine?
The IUPAC name of 1-buta-1,3-dien-2-yl-4-propylpiperazine (CID 143504867) is 1-buta-1,3-dien-2-yl-4-propylpiperazine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-4-propylpiperazine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-4-propylpiperazine is C=CC(=C)N1CCN(CCC)CC1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-4-propylpiperazine?
The InChIKey is SNKNVJQKQNHLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-12-7-9-13(10-8-12)11(3)5-2/h5H,2-4,6-10H2,1H3.
What are the key properties of 1-buta-1,3-dien-2-yl-4-propylpiperazine?
1-buta-1,3-dien-2-yl-4-propylpiperazine has a molecular weight of 180.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-4-propylpiperazine is sourced from PubChem (CID 143504867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).