4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine

C11H20F3N — CID 59416758

IUPAC4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-10(2,3)9-4-6-15(7-5-9)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyMULSWAXKGDHPGG-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds1

About 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine

4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 59416758) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID59416758
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-10(2,3)9-4-6-15(7-5-9)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyMULSWAXKGDHPGG-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 167468065
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
(4-tert-butylpiperidin-1-yl)methylphosphane
CID 131973586
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62559376
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
CID 66452767
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
CID 174080990
CID 174080990

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine (CID 59416758) is 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine is CC(C)(C)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is MULSWAXKGDHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-10(2,3)9-4-6-15(7-5-9)8-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 59416758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).