(3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid

C11H17F3N2O4 — CID 175759264

IUPAC(3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCNCC1)N1CC(O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O2.C2HF3O2/c12-8-5-11(6-8)9(13)7-1-3-10-4-2-7;3-2(4,5)1(6)7/h7-8,10,12H,1-6H2;(H,6,7)
InChIKeyVXYAFOMYFFOYBH-UHFFFAOYSA-N
MW298.26 g/mol
LogP-0.18
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid

(3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 175759264) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID175759264
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name(3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCNCC1)N1CC(O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O2.C2HF3O2/c12-8-5-11(6-8)9(13)7-1-3-10-4-2-7;3-2(4,5)1(6)7/h7-8,10,12H,1-6H2;(H,6,7)
InChIKeyVXYAFOMYFFOYBH-UHFFFAOYSA-N
XLogP-0.18
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 175759264) is (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid is O=C(C1CCNCC1)N1CC(O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is VXYAFOMYFFOYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.C2HF3O2/c12-8-5-11(6-8)9(13)7-1-3-10-4-2-7;3-2(4,5)1(6)7/h7-8,10,12H,1-6H2;(H,6,7).
What are the key properties of (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid?
(3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 298.26 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175759264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).