4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine

C13H24F3N — CID 122664538

IUPAC4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESCC(C)(C)C1(C)CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-11(2,3)12(4)5-8-17(9-6-12)10-7-13(14,15)16/h5-10H2,1-4H3
InChIKeyGCKGIUSAOOTUJB-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.09
Rot. Bonds2

About 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine

4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 122664538) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID122664538
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESCC(C)(C)C1(C)CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-11(2,3)12(4)5-8-17(9-6-12)10-7-13(14,15)16/h5-10H2,1-4H3
InChIKeyGCKGIUSAOOTUJB-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine (CID 122664538) is 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine is CC(C)(C)C1(C)CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is GCKGIUSAOOTUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-11(2,3)12(4)5-8-17(9-6-12)10-7-13(14,15)16/h5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine?
4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 251.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 122664538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).