1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine

C22H35NO — CID 155805273

IUPAC1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCCCC1
InChIInChI=1S/C22H35NO/c1-20(11-7-13-22-14-18-24-19-22)9-6-10-21(2)12-8-17-23-15-4-3-5-16-23/h10-11,14,18-19H,3-9,12-13,15-17H2,1-2H3/b20-11+,21-10+
InChIKeyDYADDKWVRNKOBQ-QSXSYNPSSA-N
MW329.53 g/mol
LogP6.15
Rot. Bonds10

About 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine

1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine (PubChem CID 155805273) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine.

Molecular Properties

Compound Name1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine
PubChem CID155805273
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCCCC1
InChIInChI=1S/C22H35NO/c1-20(11-7-13-22-14-18-24-19-22)9-6-10-21(2)12-8-17-23-15-4-3-5-16-23/h10-11,14,18-19H,3-9,12-13,15-17H2,1-2H3/b20-11+,21-10+
InChIKeyDYADDKWVRNKOBQ-QSXSYNPSSA-N
XLogP6.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine?
The IUPAC name of 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine (CID 155805273) is 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine.
What is the SMILES notation for 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine?
The canonical SMILES for 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine is C/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCCCC1.
What is the InChIKey of 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine?
The InChIKey is DYADDKWVRNKOBQ-QSXSYNPSSA-N. The full InChI is InChI=1S/C22H35NO/c1-20(11-7-13-22-14-18-24-19-22)9-6-10-21(2)12-8-17-23-15-4-3-5-16-23/h10-11,14,18-19H,3-9,12-13,15-17H2,1-2H3/b20-11+,21-10+.
What are the key properties of 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine?
1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine has a molecular weight of 329.53 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidine is sourced from PubChem (CID 155805273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).