4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine

C15H22F3N — CID 154950790

IUPAC4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine
SMILESC=C(C)/C=C\C(=C(C)C)C1CCNC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N/c1-10(2)5-6-13(11(3)4)12-7-8-19-14(9-12)15(16,17)18/h5-6,12,14,19H,1,7-9H2,2-4H3/b6-5-
InChIKeyHVLNWCXJBKWGLM-WAYWQWQTSA-N
MW273.34 g/mol
LogP4.39
Rot. Bonds3

About 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine

4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine (PubChem CID 154950790) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine
PubChem CID154950790
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine
SMILESC=C(C)/C=C\C(=C(C)C)C1CCNC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N/c1-10(2)5-6-13(11(3)4)12-7-8-19-14(9-12)15(16,17)18/h5-6,12,14,19H,1,7-9H2,2-4H3/b6-5-
InChIKeyHVLNWCXJBKWGLM-WAYWQWQTSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine?
The IUPAC name of 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine (CID 154950790) is 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine?
The canonical SMILES for 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine is C=C(C)/C=C\C(=C(C)C)C1CCNC(C(F)(F)F)C1.
What is the InChIKey of 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine?
The InChIKey is HVLNWCXJBKWGLM-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H22F3N/c1-10(2)5-6-13(11(3)4)12-7-8-19-14(9-12)15(16,17)18/h5-6,12,14,19H,1,7-9H2,2-4H3/b6-5-.
What are the key properties of 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine?
4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine has a molecular weight of 273.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 154950790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).