1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine

C21H39N — CID 69050179

IUPAC1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine
SMILESCC(C)(C)CC(C)(C)C/C=C/CC/C=C/CN1CCCCC1
InChIInChI=1S/C21H39N/c1-20(2,3)19-21(4,5)15-11-8-6-7-9-12-16-22-17-13-10-14-18-22/h8-9,11-12H,6-7,10,13-19H2,1-5H3/b11-8+,12-9+
InChIKeyYIESDTAXSVLCPA-HZOWPXDZSA-N
MW305.55 g/mol
LogP6.22
Rot. Bonds8

About 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine

1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine (PubChem CID 69050179) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine.

Molecular Properties

Compound Name1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine
PubChem CID69050179
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine
SMILESCC(C)(C)CC(C)(C)C/C=C/CC/C=C/CN1CCCCC1
InChIInChI=1S/C21H39N/c1-20(2,3)19-21(4,5)15-11-8-6-7-9-12-16-22-17-13-10-14-18-22/h8-9,11-12H,6-7,10,13-19H2,1-5H3/b11-8+,12-9+
InChIKeyYIESDTAXSVLCPA-HZOWPXDZSA-N
XLogP6.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine?
The IUPAC name of 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine (CID 69050179) is 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine.
What is the SMILES notation for 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine?
The canonical SMILES for 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine is CC(C)(C)CC(C)(C)C/C=C/CC/C=C/CN1CCCCC1.
What is the InChIKey of 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine?
The InChIKey is YIESDTAXSVLCPA-HZOWPXDZSA-N. The full InChI is InChI=1S/C21H39N/c1-20(2,3)19-21(4,5)15-11-8-6-7-9-12-16-22-17-13-10-14-18-22/h8-9,11-12H,6-7,10,13-19H2,1-5H3/b11-8+,12-9+.
What are the key properties of 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine?
1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine has a molecular weight of 305.55 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine is sourced from PubChem (CID 69050179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).