1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine

C11H20F3N — CID 134535648

IUPAC1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine
SMILESCC(C)(C)C(F)(F)C(F)N1CCCCC1
InChIInChI=1S/C11H20F3N/c1-10(2,3)11(13,14)9(12)15-7-5-4-6-8-15/h9H,4-8H2,1-3H3
InChIKeyWAABOPAXFZSKJW-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.45
Rot. Bonds2

About 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine

1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine (PubChem CID 134535648) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine.

Molecular Properties

Compound Name1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine
PubChem CID134535648
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine
SMILESCC(C)(C)C(F)(F)C(F)N1CCCCC1
InChIInChI=1S/C11H20F3N/c1-10(2,3)11(13,14)9(12)15-7-5-4-6-8-15/h9H,4-8H2,1-3H3
InChIKeyWAABOPAXFZSKJW-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(1,2,2-trifluoro-3,3-dimethylbutyl)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 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine?
The IUPAC name of 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine (CID 134535648) is 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine.
What is the SMILES notation for 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine?
The canonical SMILES for 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine is CC(C)(C)C(F)(F)C(F)N1CCCCC1.
What is the InChIKey of 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine?
The InChIKey is WAABOPAXFZSKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-10(2,3)11(13,14)9(12)15-7-5-4-6-8-15/h9H,4-8H2,1-3H3.
What are the key properties of 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine?
1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine is sourced from PubChem (CID 134535648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).