1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one

C12H23NO — CID 167367783

IUPAC1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESC[C@@H]1CCN(C)[C@@H](C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-9-6-7-13(5)10(8-9)11(14)12(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyZIOQBMZPDBMZPJ-NXEZZACHSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds1

About 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one

1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 167367783) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID167367783
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESC[C@@H]1CCN(C)[C@@H](C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-9-6-7-13(5)10(8-9)11(14)12(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyZIOQBMZPDBMZPJ-NXEZZACHSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one (CID 167367783) is 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one is C[C@@H]1CCN(C)[C@@H](C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZIOQBMZPDBMZPJ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-6-7-13(5)10(8-9)11(14)12(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one?
1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 167367783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).