(3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one

C7H11F3N2O — CID 39871657

IUPAC(3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one
SMILESCN1C(=O)[C@@H](N)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-12-5(7(8,9)10)3-2-4(11)6(12)13/h4-5H,2-3,11H2,1H3/t4-,5+/m0/s1
InChIKeyGABTVEZQCODMOO-CRCLSJGQSA-N
MW196.17 g/mol
LogP0.50
Rot. Bonds

About (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one

(3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one (PubChem CID 39871657) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one
PubChem CID39871657
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name(3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one
SMILESCN1C(=O)[C@@H](N)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-12-5(7(8,9)10)3-2-4(11)6(12)13/h4-5H,2-3,11H2,1H3/t4-,5+/m0/s1
InChIKeyGABTVEZQCODMOO-CRCLSJGQSA-N
XLogP0.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one?
The IUPAC name of (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one (CID 39871657) is (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one is CN1C(=O)[C@@H](N)CC[C@@H]1C(F)(F)F.
What is the InChIKey of (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one?
The InChIKey is GABTVEZQCODMOO-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-12-5(7(8,9)10)3-2-4(11)6(12)13/h4-5H,2-3,11H2,1H3/t4-,5+/m0/s1.
What are the key properties of (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one?
(3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one has a molecular weight of 196.17 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-amino-1-methyl-6-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 39871657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).