1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H18F3N3O — CID 126549531

IUPAC1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2cnco2)CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3O/c1-17-4-2-10(3-5-17)18(8-12(13,14)15)7-11-6-16-9-19-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyVZCZUWMMRRDAEH-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.13
Rot. Bonds4

About 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 126549531) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID126549531
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2cnco2)CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3O/c1-17-4-2-10(3-5-17)18(8-12(13,14)15)7-11-6-16-9-19-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyVZCZUWMMRRDAEH-UHFFFAOYSA-N
XLogP2.13
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 126549531) is 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CN1CCC(N(Cc2cnco2)CC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is VZCZUWMMRRDAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-17-4-2-10(3-5-17)18(8-12(13,14)15)7-11-6-16-9-19-11/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 126549531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).