2-pentan-2-yl-4-(trifluoromethyl)piperidine

C11H20F3N — CID 107888090

IUPAC2-pentan-2-yl-4-(trifluoromethyl)piperidine
SMILESCCCC(C)C1CC(C(F)(F)F)CCN1
InChIInChI=1S/C11H20F3N/c1-3-4-8(2)10-7-9(5-6-15-10)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyGRDIHZMBOMKJGQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.35
Rot. Bonds3

About 2-pentan-2-yl-4-(trifluoromethyl)piperidine

2-pentan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 107888090) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-pentan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-pentan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID107888090
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name2-pentan-2-yl-4-(trifluoromethyl)piperidine
SMILESCCCC(C)C1CC(C(F)(F)F)CCN1
InChIInChI=1S/C11H20F3N/c1-3-4-8(2)10-7-9(5-6-15-10)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyGRDIHZMBOMKJGQ-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-4-(trifluoromethyl)piperidine
CID 66330096
(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine
CID 96744744
2-chloro-4-(trifluoromethyl)piperidine
CID 42628809
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
2-(1-fluorobutyl)piperidine
CID 105431346
2-butan-2-yl-4-ethylpiperidine
CID 79444187
2-(2-cyclopropylethyl)-4-(trifluoromethyl)piperidine
CID 106779886
N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908717
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
3-ethyl-2-heptan-4-ylpyrrolidine
CID 3522347
2-(3-ethylcyclohexyl)-5-(trifluoromethyl)piperidine
CID 106779706
2-(1-fluoropropyl)azetidine
CID 105427112

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-pentan-2-yl-4-(trifluoromethyl)piperidine (CID 107888090) is 2-pentan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-pentan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-pentan-2-yl-4-(trifluoromethyl)piperidine is CCCC(C)C1CC(C(F)(F)F)CCN1.
What is the InChIKey of 2-pentan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is GRDIHZMBOMKJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-3-4-8(2)10-7-9(5-6-15-10)11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 2-pentan-2-yl-4-(trifluoromethyl)piperidine?
2-pentan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 107888090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).