3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine

C18H24F3N — CID 14879927

IUPAC3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine
SMILESC=C(Cc1ccc(C(F)(F)F)cc1)CN1CC(C)CC(C)C1
InChIInChI=1S/C18H24F3N/c1-13-8-14(2)11-22(10-13)12-15(3)9-16-4-6-17(7-5-16)18(19,20)21/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyNEIOMLRPYXGPRE-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.78
Rot. Bonds4

About 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine

3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine (PubChem CID 14879927) has the molecular formula C18H24F3N and a molecular weight of 311.39 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine
PubChem CID14879927
Molecular FormulaC18H24F3N
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine
SMILESC=C(Cc1ccc(C(F)(F)F)cc1)CN1CC(C)CC(C)C1
InChIInChI=1S/C18H24F3N/c1-13-8-14(2)11-22(10-13)12-15(3)9-16-4-6-17(7-5-16)18(19,20)21/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyNEIOMLRPYXGPRE-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.78
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 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine?
The IUPAC name of 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine (CID 14879927) is 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine.
What is the SMILES notation for 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine?
The canonical SMILES for 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine is C=C(Cc1ccc(C(F)(F)F)cc1)CN1CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine?
The InChIKey is NEIOMLRPYXGPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N/c1-13-8-14(2)11-22(10-13)12-15(3)9-16-4-6-17(7-5-16)18(19,20)21/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine?
3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine has a molecular weight of 311.39 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperidine is sourced from PubChem (CID 14879927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).