1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine

C17H26F3N — CID 89355344

IUPAC1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
SMILESC/C=C(\C=C(C)/C=C/CCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H26F3N/c1-3-16(17(18,19)20)14-15(2)10-6-4-7-11-21-12-8-5-9-13-21/h3,6,10,14H,4-5,7-9,11-13H2,1-2H3/b10-6+,15-14-,16-3+
InChIKeyZCFJXYLLAHSHBQ-KRFXCCOWSA-N
MW301.40 g/mol
LogP5.26
Rot. Bonds6

About 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine

1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine (PubChem CID 89355344) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine.

Molecular Properties

Compound Name1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
PubChem CID89355344
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
SMILESC/C=C(\C=C(C)/C=C/CCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H26F3N/c1-3-16(17(18,19)20)14-15(2)10-6-4-7-11-21-12-8-5-9-13-21/h3,6,10,14H,4-5,7-9,11-13H2,1-2H3/b10-6+,15-14-,16-3+
InChIKeyZCFJXYLLAHSHBQ-KRFXCCOWSA-N
XLogP5.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine?
The IUPAC name of 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine (CID 89355344) is 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine.
What is the SMILES notation for 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine?
The canonical SMILES for 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine is C/C=C(\C=C(C)/C=C/CCCN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine?
The InChIKey is ZCFJXYLLAHSHBQ-KRFXCCOWSA-N. The full InChI is InChI=1S/C17H26F3N/c1-3-16(17(18,19)20)14-15(2)10-6-4-7-11-21-12-8-5-9-13-21/h3,6,10,14H,4-5,7-9,11-13H2,1-2H3/b10-6+,15-14-,16-3+.
What are the key properties of 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine?
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine has a molecular weight of 301.40 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine is sourced from PubChem (CID 89355344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).