1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine

C20H35N — CID 6446865

IUPAC1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCCC1
InChIInChI=1S/C20H35N/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-17-21-15-6-5-7-16-21/h10,12,14H,5-9,11,13,15-17H2,1-4H3/b19-12+,20-14+
InChIKeyQZPMEHRLRWYEEH-LCAIAVFMSA-N
MW289.51 g/mol
LogP5.89
Rot. Bonds8

About 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine

1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine (PubChem CID 6446865) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine.

Molecular Properties

Compound Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine
PubChem CID6446865
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCCC1
InChIInChI=1S/C20H35N/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-17-21-15-6-5-7-16-21/h10,12,14H,5-9,11,13,15-17H2,1-4H3/b19-12+,20-14+
InChIKeyQZPMEHRLRWYEEH-LCAIAVFMSA-N
XLogP5.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine?
The IUPAC name of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine (CID 6446865) is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine.
What is the SMILES notation for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine?
The canonical SMILES for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCCC1.
What is the InChIKey of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine?
The InChIKey is QZPMEHRLRWYEEH-LCAIAVFMSA-N. The full InChI is InChI=1S/C20H35N/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-17-21-15-6-5-7-16-21/h10,12,14H,5-9,11,13,15-17H2,1-4H3/b19-12+,20-14+.
What are the key properties of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine?
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine has a molecular weight of 289.51 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine is sourced from PubChem (CID 6446865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).