2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one

C12H21F3N2O2 — CID 79805094

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one
SMILESCCCOC1CCCN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-3-7-19-9-5-4-6-17(8-9)10(18)11(2,16)12(13,14)15/h9H,3-8,16H2,1-2H3
InChIKeyPRHQFRIJJQNZKP-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one (PubChem CID 79805094) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one
PubChem CID79805094
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one
SMILESCCCOC1CCCN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-3-7-19-9-5-4-6-17(8-9)10(18)11(2,16)12(13,14)15/h9H,3-8,16H2,1-2H3
InChIKeyPRHQFRIJJQNZKP-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one (CID 79805094) is 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one is CCCOC1CCCN(C(=O)C(C)(N)C(F)(F)F)C1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one?
The InChIKey is PRHQFRIJJQNZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-7-19-9-5-4-6-17(8-9)10(18)11(2,16)12(13,14)15/h9H,3-8,16H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one has a molecular weight of 282.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 79805094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).