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

C15H25ClN2 — CID 6538108

IUPAC1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride
SMILESC(/C=C/C=C/N1CCCCC1)=[N+]1CCCCC1.[Cl-]
InChIInChI=1S/C15H25N2.ClH/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;1H/q+1;/p-1
InChIKeyZDQJHKFXTFWZCY-UHFFFAOYSA-M
MW268.83 g/mol
LogP-0.19
Rot. Bonds3

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

1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride (PubChem CID 6538108) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride.

Molecular Properties

Compound Name1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride
PubChem CID6538108
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride
SMILESC(/C=C/C=C/N1CCCCC1)=[N+]1CCCCC1.[Cl-]
InChIInChI=1S/C15H25N2.ClH/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;1H/q+1;/p-1
InChIKeyZDQJHKFXTFWZCY-UHFFFAOYSA-M
XLogP-0.19
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 5-0.19
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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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride?
The IUPAC name of 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride (CID 6538108) is 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride.
What is the SMILES notation for 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride?
The canonical SMILES for 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride is C(/C=C/C=C/N1CCCCC1)=[N+]1CCCCC1.[Cl-].
What is the InChIKey of 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride?
The InChIKey is ZDQJHKFXTFWZCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H25N2.ClH/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;1H/q+1;/p-1.
What are the key properties of 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride?
1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride has a molecular weight of 268.83 g/mol, XLogP of -0.19, 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 chloride is sourced from PubChem (CID 6538108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).