(2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine

C17H28F3N — CID 134865894

IUPAC(2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine
SMILESCCCCC/C=C/C=C/[C@@H]1CC(C)(C)C[C@H](C(F)(F)F)N1
InChIInChI=1S/C17H28F3N/c1-4-5-6-7-8-9-10-11-14-12-16(2,3)13-15(21-14)17(18,19)20/h8-11,14-15,21H,4-7,12-13H2,1-3H3/b9-8+,11-10+/t14-,15-/m1/s1
InChIKeyQGDNPABFYNSMOL-SHQQZNEKSA-N
MW303.41 g/mol
LogP5.39
Rot. Bonds6

About (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine

(2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine (PubChem CID 134865894) has the molecular formula C17H28F3N and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine
PubChem CID134865894
Molecular FormulaC17H28F3N
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name(2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine
SMILESCCCCC/C=C/C=C/[C@@H]1CC(C)(C)C[C@H](C(F)(F)F)N1
InChIInChI=1S/C17H28F3N/c1-4-5-6-7-8-9-10-11-14-12-16(2,3)13-15(21-14)17(18,19)20/h8-11,14-15,21H,4-7,12-13H2,1-3H3/b9-8+,11-10+/t14-,15-/m1/s1
InChIKeyQGDNPABFYNSMOL-SHQQZNEKSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine?
The IUPAC name of (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine (CID 134865894) is (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine?
The canonical SMILES for (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine is CCCCC/C=C/C=C/[C@@H]1CC(C)(C)C[C@H](C(F)(F)F)N1.
What is the InChIKey of (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine?
The InChIKey is QGDNPABFYNSMOL-SHQQZNEKSA-N. The full InChI is InChI=1S/C17H28F3N/c1-4-5-6-7-8-9-10-11-14-12-16(2,3)13-15(21-14)17(18,19)20/h8-11,14-15,21H,4-7,12-13H2,1-3H3/b9-8+,11-10+/t14-,15-/m1/s1.
What are the key properties of (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine?
(2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine has a molecular weight of 303.41 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 134865894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).