1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C13H21F3N2O2 — CID 91652247

IUPAC1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(F)(F)F)CC1)N1CCC[C@@H]1CO
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-3-6-17(7-4-10)8-12(20)18-5-1-2-11(18)9-19/h10-11,19H,1-9H2/t11-/m1/s1
InChIKeyQSXOKGGJOKABHX-LLVKDONJSA-N
MW294.32 g/mol
LogP1.24
Rot. Bonds3

About 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 91652247) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID91652247
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(F)(F)F)CC1)N1CCC[C@@H]1CO
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-3-6-17(7-4-10)8-12(20)18-5-1-2-11(18)9-19/h10-11,19H,1-9H2/t11-/m1/s1
InChIKeyQSXOKGGJOKABHX-LLVKDONJSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 91652247) is 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCC(C(F)(F)F)CC1)N1CCC[C@@H]1CO.
What is the InChIKey of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is QSXOKGGJOKABHX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)10-3-6-17(7-4-10)8-12(20)18-5-1-2-11(18)9-19/h10-11,19H,1-9H2/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 294.32 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 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91652247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).