1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine

C16H27N2+ — CID 122236672

IUPAC1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
SMILESC/C(C=[N+]1CCCCC1)=C\C=C/N1CCCCC1
InChIInChI=1S/C16H27N2/c1-16(15-18-12-6-3-7-13-18)9-8-14-17-10-4-2-5-11-17/h8-9,14-15H,2-7,10-13H2,1H3/q+1
InChIKeyDGXXNSJVNJOSJG-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.20
Rot. Bonds3

About 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine

1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine (PubChem CID 122236672) has the molecular formula C16H27N2+ and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine.

Molecular Properties

Compound Name1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
PubChem CID122236672
Molecular FormulaC16H27N2+
Molecular Weight247.41 g/mol
Exact Mass247.22
IUPAC Name1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
SMILESC/C(C=[N+]1CCCCC1)=C\C=C/N1CCCCC1
InChIInChI=1S/C16H27N2/c1-16(15-18-12-6-3-7-13-18)9-8-14-17-10-4-2-5-11-17/h8-9,14-15H,2-7,10-13H2,1H3/q+1
InChIKeyDGXXNSJVNJOSJG-UHFFFAOYSA-N
XLogP3.20
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.20
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-(3-methylpiperidino)-2,4-pentadienylidene)-3-methyl-, chloride, hydrate
CID 90859
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
3-Methyl-1-[4-methyl-5-(3-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine
CID 90860
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-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 5475710
1-[(1Z,3Z)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 92526206
ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145198223
(2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine
CID 170342421

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine?
The IUPAC name of 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine (CID 122236672) is 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine.
What is the SMILES notation for 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine?
The canonical SMILES for 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine is C/C(C=[N+]1CCCCC1)=C\C=C/N1CCCCC1.
What is the InChIKey of 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine?
The InChIKey is DGXXNSJVNJOSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N2/c1-16(15-18-12-6-3-7-13-18)9-8-14-17-10-4-2-5-11-17/h8-9,14-15H,2-7,10-13H2,1H3/q+1.
What are the key properties of 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine?
1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine has a molecular weight of 247.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine is sourced from PubChem (CID 122236672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).