3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one

C11H19F3N2O2 — CID 112737771

IUPAC3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCNCCC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-15-6-3-9(17)16-7-4-10(18,5-8-16)11(12,13)14/h15,18H,2-8H2,1H3
InChIKeyZWLAVDMZUMFPBI-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds4

About 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one

3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 112737771) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID112737771
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCNCCC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-15-6-3-9(17)16-7-4-10(18,5-8-16)11(12,13)14/h15,18H,2-8H2,1H3
InChIKeyZWLAVDMZUMFPBI-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 112737771) is 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is CCNCCC(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is ZWLAVDMZUMFPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-15-6-3-9(17)16-7-4-10(18,5-8-16)11(12,13)14/h15,18H,2-8H2,1H3.
What are the key properties of 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 268.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 112737771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).