1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine

C13H25F3N2 — CID 114592264

IUPAC1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CC(C)CC(C)C1C)C(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-5-11(17)12(13(14,15)16)18-7-8(2)6-9(3)10(18)4/h8-12H,5-7,17H2,1-4H3
InChIKeyAYFIPPTZFKYTOF-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.02
Rot. Bonds3

About 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine

1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine (PubChem CID 114592264) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine
PubChem CID114592264
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CC(C)CC(C)C1C)C(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-5-11(17)12(13(14,15)16)18-7-8(2)6-9(3)10(18)4/h8-12H,5-7,17H2,1-4H3
InChIKeyAYFIPPTZFKYTOF-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine (CID 114592264) is 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine is CCC(N)C(N1CC(C)CC(C)C1C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine?
The InChIKey is AYFIPPTZFKYTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-5-11(17)12(13(14,15)16)18-7-8(2)6-9(3)10(18)4/h8-12H,5-7,17H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine?
1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine has a molecular weight of 266.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2,3,5-trimethylpiperidin-1-yl)pentan-3-amine is sourced from PubChem (CID 114592264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).