4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine

C17H29N2+ — CID 6446701

IUPAC4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine
SMILESCC1CCN(/C=C/C=C/C=[N+]2CCC(C)CC2)CC1
InChIInChI=1S/C17H29N2/c1-16-6-12-18(13-7-16)10-4-3-5-11-19-14-8-17(2)9-15-19/h3-5,10-11,16-17H,6-9,12-15H2,1-2H3/q+1
InChIKeyKDNBLBKYICFCLN-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine

4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine (PubChem CID 6446701) has the molecular formula C17H29N2+ and a molecular weight of 261.43 g/mol. Its IUPAC name is 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine
PubChem CID6446701
Molecular FormulaC17H29N2+
Molecular Weight261.43 g/mol
Exact Mass261.23
IUPAC Name4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine
SMILESCC1CCN(/C=C/C=C/C=[N+]2CCC(C)CC2)CC1
InChIInChI=1S/C17H29N2/c1-16-6-12-18(13-7-16)10-4-3-5-11-19-14-8-17(2)9-15-19/h3-5,10-11,16-17H,6-9,12-15H2,1-2H3/q+1
InChIKeyKDNBLBKYICFCLN-UHFFFAOYSA-N
XLogP3.30
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.30
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
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
4-Methyl-1-[5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine
CID 90856
1-[(1E,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 6912278
3-methyl-1-[(1E,3E)-4-methyl-5-(3-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine;chloride;hydrate
CID 21116656

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine?
The IUPAC name of 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine (CID 6446701) is 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine.
What is the SMILES notation for 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine?
The canonical SMILES for 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine is CC1CCN(/C=C/C=C/C=[N+]2CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine?
The InChIKey is KDNBLBKYICFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N2/c1-16-6-12-18(13-7-16)10-4-3-5-11-19-14-8-17(2)9-15-19/h3-5,10-11,16-17H,6-9,12-15H2,1-2H3/q+1.
What are the key properties of 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine?
4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine has a molecular weight of 261.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine is sourced from PubChem (CID 6446701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).