2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one

C11H19F3N2O2 — CID 107392341

IUPAC2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCOC1(C)CCCN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-9(18-3)5-4-6-16(7-9)8(17)10(2,15)11(12,13)14/h4-7,15H2,1-3H3
InChIKeyAWQRTGQVSMTPRX-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.29
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one

2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 107392341) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID107392341
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCOC1(C)CCCN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-9(18-3)5-4-6-16(7-9)8(17)10(2,15)11(12,13)14/h4-7,15H2,1-3H3
InChIKeyAWQRTGQVSMTPRX-UHFFFAOYSA-N
XLogP1.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one (CID 107392341) is 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one is COC1(C)CCCN(C(=O)C(C)(N)C(F)(F)F)C1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is AWQRTGQVSMTPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-9(18-3)5-4-6-16(7-9)8(17)10(2,15)11(12,13)14/h4-7,15H2,1-3H3.
What are the key properties of 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 268.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 107392341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).