4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine

C20H28F3N — CID 145108028

IUPAC4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine
SMILESC=CC1(C(C)C)CCN(CCCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H28F3N/c1-4-19(16(2)3)11-14-24(15-12-19)13-7-9-17-8-5-6-10-18(17)20(21,22)23/h4-6,8,10,16H,1,7,9,11-15H2,2-3H3
InChIKeyITVUKGSFAFPLRH-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.56
Rot. Bonds6

About 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine

4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine (PubChem CID 145108028) has the molecular formula C20H28F3N and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine.

Molecular Properties

Compound Name4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine
PubChem CID145108028
Molecular FormulaC20H28F3N
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine
SMILESC=CC1(C(C)C)CCN(CCCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H28F3N/c1-4-19(16(2)3)11-14-24(15-12-19)13-7-9-17-8-5-6-10-18(17)20(21,22)23/h4-6,8,10,16H,1,7,9,11-15H2,2-3H3
InChIKeyITVUKGSFAFPLRH-UHFFFAOYSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.56
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 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine?
The IUPAC name of 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine (CID 145108028) is 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine.
What is the SMILES notation for 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine?
The canonical SMILES for 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine is C=CC1(C(C)C)CCN(CCCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine?
The InChIKey is ITVUKGSFAFPLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N/c1-4-19(16(2)3)11-14-24(15-12-19)13-7-9-17-8-5-6-10-18(17)20(21,22)23/h4-6,8,10,16H,1,7,9,11-15H2,2-3H3.
What are the key properties of 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine?
4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine has a molecular weight of 339.44 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine is sourced from PubChem (CID 145108028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).