2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C13H21F3N2O2 — CID 120785922

IUPAC2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(C(F)(F)F)CC1)C1CCOCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-1-5-18(6-2-10)12(19)11(17)9-3-7-20-8-4-9/h9-11H,1-8,17H2
InChIKeyPAGDPJRRQMRJHK-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.54
Rot. Bonds2

About 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 120785922) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID120785922
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(C(F)(F)F)CC1)C1CCOCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-1-5-18(6-2-10)12(19)11(17)9-3-7-20-8-4-9/h9-11H,1-8,17H2
InChIKeyPAGDPJRRQMRJHK-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 120785922) is 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is NC(C(=O)N1CCC(C(F)(F)F)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is PAGDPJRRQMRJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)10-1-5-18(6-2-10)12(19)11(17)9-3-7-20-8-4-9/h9-11H,1-8,17H2.
What are the key properties of 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 294.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 120785922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).