4-tert-butyl-4-(trifluoromethyl)piperidine

C10H18F3N — CID 122629323

IUPAC4-tert-butyl-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C10H18F3N/c1-8(2,3)9(10(11,12)13)4-6-14-7-5-9/h14H,4-7H2,1-3H3
InChIKeyBNJIBRVKZXKINC-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.96
Rot. Bonds

About 4-tert-butyl-4-(trifluoromethyl)piperidine

4-tert-butyl-4-(trifluoromethyl)piperidine (PubChem CID 122629323) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-tert-butyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-(trifluoromethyl)piperidine
PubChem CID122629323
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name4-tert-butyl-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C10H18F3N/c1-8(2,3)9(10(11,12)13)4-6-14-7-5-9/h14H,4-7H2,1-3H3
InChIKeyBNJIBRVKZXKINC-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-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 4-tert-butyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 4-tert-butyl-4-(trifluoromethyl)piperidine (CID 122629323) is 4-tert-butyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 4-tert-butyl-4-(trifluoromethyl)piperidine is CC(C)(C)C1(C(F)(F)F)CCNCC1.
What is the InChIKey of 4-tert-butyl-4-(trifluoromethyl)piperidine?
The InChIKey is BNJIBRVKZXKINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(2,3)9(10(11,12)13)4-6-14-7-5-9/h14H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-4-(trifluoromethyl)piperidine?
4-tert-butyl-4-(trifluoromethyl)piperidine has a molecular weight of 209.25 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 122629323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).