3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one

C12H21F3N2O2 — CID 155262197

IUPAC3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C)N(C)C1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-8(2)16(3)9-4-6-17(7-5-9)11(19)10(18)12(13,14)15/h8-10,18H,4-7H2,1-3H3
InChIKeyPLOASHFQFWKDSG-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.24
Rot. Bonds3

About 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one

3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 155262197) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID155262197
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C)N(C)C1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-8(2)16(3)9-4-6-17(7-5-9)11(19)10(18)12(13,14)15/h8-10,18H,4-7H2,1-3H3
InChIKeyPLOASHFQFWKDSG-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one (CID 155262197) is 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one is CC(C)N(C)C1CCN(C(=O)C(O)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is PLOASHFQFWKDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(2)16(3)9-4-6-17(7-5-9)11(19)10(18)12(13,14)15/h8-10,18H,4-7H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 282.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155262197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).