(4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C12H19F3N2O2 — CID 63708417

IUPAC(4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCOC1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C12H19F3N2O2/c1-19-9-2-6-17(7-3-9)10(18)11(12(13,14)15)4-5-16-8-11/h9,16H,2-8H2,1H3
InChIKeyMGEYEINWMUANCN-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.17
Rot. Bonds2

About (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63708417) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63708417
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name(4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCOC1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C12H19F3N2O2/c1-19-9-2-6-17(7-3-9)10(18)11(12(13,14)15)4-5-16-8-11/h9,16H,2-8H2,1H3
InChIKeyMGEYEINWMUANCN-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63708417) is (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is COC1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is MGEYEINWMUANCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-19-9-2-6-17(7-3-9)10(18)11(12(13,14)15)4-5-16-8-11/h9,16H,2-8H2,1H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 280.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63708417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).