1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one

C10H17F3N2O — CID 158452958

IUPAC1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C[C@H](N)C[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-6(2)9(16)15-4-7(10(11,12)13)3-8(14)5-15/h6-8H,3-5,14H2,1-2H3/t7-,8+/m0/s1
InChIKeyREVUSJLOOBWSMJ-JGVFFNPUSA-N
MW238.25 g/mol
LogP1.38
Rot. Bonds1

About 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one

1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 158452958) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID158452958
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C[C@H](N)C[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-6(2)9(16)15-4-7(10(11,12)13)3-8(14)5-15/h6-8H,3-5,14H2,1-2H3/t7-,8+/m0/s1
InChIKeyREVUSJLOOBWSMJ-JGVFFNPUSA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 158452958) is 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1C[C@H](N)C[C@H](C(F)(F)F)C1.
What is the InChIKey of 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is REVUSJLOOBWSMJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6(2)9(16)15-4-7(10(11,12)13)3-8(14)5-15/h6-8H,3-5,14H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 238.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 158452958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).