1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine

C15H25N2+ — CID 5475710

IUPAC1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
SMILESC(/C=C/C=C/N1CCCCC1)=[N+]1CCCCC1
InChIInChI=1S/C15H25N2/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h3,8-9,14-15H,1-2,4-7,10-13H2/q+1
InChIKeyGHJAWCTZTQSLLU-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.81
Rot. Bonds3

About 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine

1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine (PubChem CID 5475710) has the molecular formula C15H25N2+ and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine.

Molecular Properties

Compound Name1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
PubChem CID5475710
Molecular FormulaC15H25N2+
Molecular Weight233.38 g/mol
Exact Mass233.20
IUPAC Name1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
SMILESC(/C=C/C=C/N1CCCCC1)=[N+]1CCCCC1
InChIInChI=1S/C15H25N2/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h3,8-9,14-15H,1-2,4-7,10-13H2/q+1
InChIKeyGHJAWCTZTQSLLU-UHFFFAOYSA-N
XLogP2.81
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Piperidinium, 1-(5-piperidino-2,4-pentadienylidene)-, chloride, hydrate
CID 90857
Piperidinium, 1-(2-methyl-5-piperidino-2,4-pentadienylidene)-, chloride, hydrate
CID 91105
1-(5-Piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine
CID 90858
1-(4-Methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine
CID 91106
4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine
CID 6446701
Piperidinium,4-pentadienylidene)-, chloride
CID 6538108
1-[3-(Piperidin-1-yl)prop-2-en-1-ylidene]piperidin-1-ium perchlorate
CID 71356625
1-[5-(Piperidin-1-yl)penta-2,4-dien-1-ylidene]piperidin-1-ium perchlorate
CID 71356627
1-[(1Z,3Z)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 92526206
1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 11198950
1-(3-Piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
CID 71356626
1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine;trifluoroborane;fluoride
CID 157557018

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine?
The IUPAC name of 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine (CID 5475710) is 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine.
What is the SMILES notation for 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine?
The canonical SMILES for 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine is C(/C=C/C=C/N1CCCCC1)=[N+]1CCCCC1.
What is the InChIKey of 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine?
The InChIKey is GHJAWCTZTQSLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h3,8-9,14-15H,1-2,4-7,10-13H2/q+1.
What are the key properties of 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine?
1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine has a molecular weight of 233.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine is sourced from PubChem (CID 5475710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).