(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C13H22F3N3O2 — CID 119838364

IUPAC(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCOC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCNCC1
InChIInChI=1S/C13H22F3N3O2/c1-21-12(2-4-17-5-3-12)11(20)19-8-6-18(7-9-19)10-13(14,15)16/h17H,2-10H2,1H3
InChIKeyRWPWLWGWTIVHFV-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.46
Rot. Bonds3

About (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 119838364) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID119838364
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCOC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCNCC1
InChIInChI=1S/C13H22F3N3O2/c1-21-12(2-4-17-5-3-12)11(20)19-8-6-18(7-9-19)10-13(14,15)16/h17H,2-10H2,1H3
InChIKeyRWPWLWGWTIVHFV-UHFFFAOYSA-N
XLogP0.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 119838364) is (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is COC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is RWPWLWGWTIVHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-21-12(2-4-17-5-3-12)11(20)19-8-6-18(7-9-19)10-13(14,15)16/h17H,2-10H2,1H3.
What are the key properties of (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 309.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119838364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).