4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

C11H20F3N — CID 58395562

IUPAC4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)C1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-9(2)10(3)4-6-15(7-5-10)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyALBMGMUZNHVRJK-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds2

About 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 58395562) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID58395562
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)C1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-9(2)10(3)4-6-15(7-5-10)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyALBMGMUZNHVRJK-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (CID 58395562) is 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is CC(C)C1(C)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is ALBMGMUZNHVRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-9(2)10(3)4-6-15(7-5-10)8-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 58395562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).