1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine

C32H41NO — CID 122651438

IUPAC1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine
SMILESC=C/C=C\C=C\O/C=C/C=C\C(=C)CN1CCC(/C(C=C)=C/C=C/C=C/C=C\C(C)=C\C)CC1
InChIInChI=1S/C32H41NO/c1-6-9-10-17-26-34-27-18-16-20-30(5)28-33-24-22-32(23-25-33)31(8-3)21-15-13-11-12-14-19-29(4)7-2/h6-21,26-27,32H,1,3,5,22-25,28H2,2,4H3/b10-9-,12-11+,15-13+,19-14-,20-16-,26-17+,27-18+,29-7+,31-21+
InChIKeyZFZPPQPFYUUAFJ-IXLNYVQXSA-N
MW455.69 g/mol
LogP8.34
Rot. Bonds14

About 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine

1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine (PubChem CID 122651438) has the molecular formula C32H41NO and a molecular weight of 455.69 g/mol. Its IUPAC name is 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine.

Molecular Properties

Compound Name1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine
PubChem CID122651438
Molecular FormulaC32H41NO
Molecular Weight455.69 g/mol
Exact Mass455.32
IUPAC Name1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine
SMILESC=C/C=C\C=C\O/C=C/C=C\C(=C)CN1CCC(/C(C=C)=C/C=C/C=C/C=C\C(C)=C\C)CC1
InChIInChI=1S/C32H41NO/c1-6-9-10-17-26-34-27-18-16-20-30(5)28-33-24-22-32(23-25-33)31(8-3)21-15-13-11-12-14-19-29(4)7-2/h6-21,26-27,32H,1,3,5,22-25,28H2,2,4H3/b10-9-,12-11+,15-13+,19-14-,20-16-,26-17+,27-18+,29-7+,31-21+
InChIKeyZFZPPQPFYUUAFJ-IXLNYVQXSA-N
XLogP8.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.69
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine with MolForge

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Related Compounds

1-[[(1E,3Z,5E)-3,6,7,7-tetramethylocta-1,3,5-trienoxy]methyl]piperidine
CID 89355303
1-[(3Z,5Z)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyocta-3,5-dienyl]-4-[4-[(1E,3Z,5E)-5-methylhepta-1,3,5-trienyl]cyclohexa-1,5-dien-1-yl]piperidine
CID 122651439
(2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine
CID 139539943
methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine
CID 142187254
ethane;4-[(E)-3-ethyl-5-[(Z)-prop-1-enyl]-4-propyloct-5-en-4-yl]-1-[3-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypropyl]piperidine
CID 142371722
3,3-dimethyl-1-[3-[(1E,3E)-octa-1,3-dienoxy]propyl]piperidine
CID 143491341
ethane;1-(2-ethenoxyethyl)-3-methyl-5-[(2E,5Z)-4-propan-2-ylidenehepta-2,5-dien-3-yl]-3,6-dihydro-2H-pyridine;prop-1-ene
CID 163230477
(2R,6S)-4-(methoxymethylidene)-2,6-dimethyl-1-[(3Z,5Z)-2-methylhepta-3,5-dienyl]piperidine
CID 169647570
(2E)-3-ethyl-6-methoxy-2-methyl-N-(3-methylbutyl)-N-propylhexa-2,5-dien-1-amine
CID 170265231
1-[(3Z,5E)-6-methoxyhepta-3,5-dienyl]-4-methylpiperidine
CID 141922014
4-[(E)-3-ethyl-5-[(Z)-prop-1-enyl]-4-propyloct-5-en-4-yl]-1-[3-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypropyl]piperidine
CID 142371723
(5R)-1-[3-[(2E,5E)-6-cyclohepta-1,4,6-trien-1-ylhepta-2,5-dien-2-yl]oxypropyl]-3,5-dimethylpiperidine
CID 143322450

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine?
The IUPAC name of 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine (CID 122651438) is 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine.
What is the SMILES notation for 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine?
The canonical SMILES for 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine is C=C/C=C\C=C\O/C=C/C=C\C(=C)CN1CCC(/C(C=C)=C/C=C/C=C/C=C\C(C)=C\C)CC1.
What is the InChIKey of 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine?
The InChIKey is ZFZPPQPFYUUAFJ-IXLNYVQXSA-N. The full InChI is InChI=1S/C32H41NO/c1-6-9-10-17-26-34-27-18-16-20-30(5)28-33-24-22-32(23-25-33)31(8-3)21-15-13-11-12-14-19-29(4)7-2/h6-21,26-27,32H,1,3,5,22-25,28H2,2,4H3/b10-9-,12-11+,15-13+,19-14-,20-16-,26-17+,27-18+,29-7+,31-21+.
What are the key properties of 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine?
1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine has a molecular weight of 455.69 g/mol, XLogP of 8.34, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine is sourced from PubChem (CID 122651438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).