1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine

C13H23N2+ — CID 71356626

IUPAC1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
SMILESC(=CN1CCCCC1)C=[N+]1CCCCC1
InChIInChI=1S/C13H23N2/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h7,12-13H,1-6,8-11H2/q+1
InChIKeyYMZVQSBRWVLSRD-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.25
Rot. Bonds2

About 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine

1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine (PubChem CID 71356626) has the molecular formula C13H23N2+ and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine.

Molecular Properties

Compound Name1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
PubChem CID71356626
Molecular FormulaC13H23N2+
Molecular Weight207.34 g/mol
Exact Mass207.19
IUPAC Name1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
SMILESC(=CN1CCCCC1)C=[N+]1CCCCC1
InChIInChI=1S/C13H23N2/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h7,12-13H,1-6,8-11H2/q+1
InChIKeyYMZVQSBRWVLSRD-UHFFFAOYSA-N
XLogP2.25
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
1-(5-Piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine
CID 90858
[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride
CID 134875136
1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 10926204
Piperidinium,4-pentadienylidene)-, chloride
CID 6538108
1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 5475710
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-(2-Chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
CID 72816687
1-[(E)-2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 89692926

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine?
The IUPAC name of 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine (CID 71356626) is 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine.
What is the SMILES notation for 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine?
The canonical SMILES for 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine is C(=CN1CCCCC1)C=[N+]1CCCCC1.
What is the InChIKey of 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine?
The InChIKey is YMZVQSBRWVLSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h7,12-13H,1-6,8-11H2/q+1.
What are the key properties of 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine?
1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine has a molecular weight of 207.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine is sourced from PubChem (CID 71356626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).