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

C34H49NO — CID 122651439

IUPAC1-[(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
SMILESC/C=C(C)/C=C\C=C\C1C=CC(C2CCN(CC/C=C\C=C/C(C)OC(/C=C\CC)=C/C)CC2)=CC1
InChIInChI=1S/C34H49NO/c1-6-9-19-34(8-3)36-30(5)17-12-10-11-15-26-35-27-24-33(25-28-35)32-22-20-31(21-23-32)18-14-13-16-29(4)7-2/h7-14,16-20,22-23,30-31,33H,6,15,21,24-28H2,1-5H3/b11-10-,16-13-,17-12-,18-14+,19-9-,29-7+,34-8+
InChIKeyRTNPPARQTYMVPK-HINFHYRHSA-N
MW487.77 g/mol
LogP9.06
Rot. Bonds13

About 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

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 (PubChem CID 122651439) has the molecular formula C34H49NO and a molecular weight of 487.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID122651439
Molecular FormulaC34H49NO
Molecular Weight487.77 g/mol
Exact Mass487.38
IUPAC Name1-[(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
SMILESC/C=C(C)/C=C\C=C\C1C=CC(C2CCN(CC/C=C\C=C/C(C)OC(/C=C\CC)=C/C)CC2)=CC1
InChIInChI=1S/C34H49NO/c1-6-9-19-34(8-3)36-30(5)17-12-10-11-15-26-35-27-24-33(25-28-35)32-22-20-31(21-23-32)18-14-13-16-29(4)7-2/h7-14,16-20,22-23,30-31,33H,6,15,21,24-28H2,1-5H3/b11-10-,16-13-,17-12-,18-14+,19-9-,29-7+,34-8+
InChIKeyRTNPPARQTYMVPK-HINFHYRHSA-N
XLogP9.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.77
LogP ≤ 59.06
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,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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C(C)/C=C\C=C\C1C=CC(C2CCN(CC/C=C\C=C/C(C)OC(/C=C\CC)=C/C)CC2)=CC1.
What is the InChIKey of 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?
The InChIKey is RTNPPARQTYMVPK-HINFHYRHSA-N. The full InChI is InChI=1S/C34H49NO/c1-6-9-19-34(8-3)36-30(5)17-12-10-11-15-26-35-27-24-33(25-28-35)32-22-20-31(21-23-32)18-14-13-16-29(4)7-2/h7-14,16-20,22-23,30-31,33H,6,15,21,24-28H2,1-5H3/b11-10-,16-13-,17-12-,18-14+,19-9-,29-7+,34-8+.
What are the key properties of 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?
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 has a molecular weight of 487.77 g/mol, XLogP of 9.06, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122651439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).