4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine

C12H20F3N — CID 167468039

IUPAC4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=CC(C)(C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c1-4-11(2,3)10-5-7-16(8-6-10)9-12(13,14)15/h4,10H,1,5-9H2,2-3H3
InChIKeyMSKUTDIRXUXEKY-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.47
Rot. Bonds3

About 4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine

4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 167468039) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID167468039
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=CC(C)(C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c1-4-11(2,3)10-5-7-16(8-6-10)9-12(13,14)15/h4,10H,1,5-9H2,2-3H3
InChIKeyMSKUTDIRXUXEKY-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.47
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-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine (CID 167468039) is 4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine is C=CC(C)(C)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is MSKUTDIRXUXEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-4-11(2,3)10-5-7-16(8-6-10)9-12(13,14)15/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine?
4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 235.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 167468039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).