3,3-dimethyl-4-(trifluoromethyl)piperidine

C8H14F3N — CID 86775311

IUPAC3,3-dimethyl-4-(trifluoromethyl)piperidine
SMILESCC1(C)CNCCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-7(2)5-12-4-3-6(7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyQRDBGSBWGYDUMV-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds

About 3,3-dimethyl-4-(trifluoromethyl)piperidine

3,3-dimethyl-4-(trifluoromethyl)piperidine (PubChem CID 86775311) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3,3-dimethyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-4-(trifluoromethyl)piperidine
PubChem CID86775311
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3,3-dimethyl-4-(trifluoromethyl)piperidine
SMILESCC1(C)CNCCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-7(2)5-12-4-3-6(7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyQRDBGSBWGYDUMV-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-4-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 3,3-dimethyl-4-(trifluoromethyl)piperidine (CID 86775311) is 3,3-dimethyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 3,3-dimethyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 3,3-dimethyl-4-(trifluoromethyl)piperidine is CC1(C)CNCCC1C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-4-(trifluoromethyl)piperidine?
The InChIKey is QRDBGSBWGYDUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-7(2)5-12-4-3-6(7)8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(trifluoromethyl)piperidine?
3,3-dimethyl-4-(trifluoromethyl)piperidine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 86775311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).