3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine

C12H20F3N — CID 134531065

IUPAC3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
SMILESC=C(C)C(F)(F)C(F)N1CC(C)CC(C)C1
InChIInChI=1S/C12H20F3N/c1-8(2)12(14,15)11(13)16-6-9(3)5-10(4)7-16/h9-11H,1,5-7H2,2-4H3
InChIKeyCCTDFIWKBUDUFG-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.47
Rot. Bonds3

About 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine

3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine (PubChem CID 134531065) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
PubChem CID134531065
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
SMILESC=C(C)C(F)(F)C(F)N1CC(C)CC(C)C1
InChIInChI=1S/C12H20F3N/c1-8(2)12(14,15)11(13)16-6-9(3)5-10(4)7-16/h9-11H,1,5-7H2,2-4H3
InChIKeyCCTDFIWKBUDUFG-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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-4-methylidenepiperidine
CID 23423756
1-Methyl-4-methylidenepiperidine;1,1,1-trifluoroethane
CID 54257027
4-Methylidene-1-(2,2,2-trifluoroethyl)piperidine
CID 58902685
1-(2,2-Difluoroethyl)-4-methylidenepiperidine
CID 58902726
1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-Ethyl-4-(1-fluoroethenyl)piperidine
CID 91012854
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118178
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]piperidine
CID 124118182
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)piperidine
CID 124118195
3,5-Bis(trifluoromethyl)-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 124118197
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 129207796
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine?
The IUPAC name of 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine (CID 134531065) is 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine.
What is the SMILES notation for 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine?
The canonical SMILES for 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine is C=C(C)C(F)(F)C(F)N1CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine?
The InChIKey is CCTDFIWKBUDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-8(2)12(14,15)11(13)16-6-9(3)5-10(4)7-16/h9-11H,1,5-7H2,2-4H3.
What are the key properties of 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine?
3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)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 3,5-dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine is sourced from PubChem (CID 134531065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).