1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one

C11H21NO2 — CID 103715028

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-9(2)12(8)11(13)10(3)14-4/h8-10H,5-7H2,1-4H3/t8-,9+,10?
InChIKeyNRJMPPHIPKBIQC-ULKQDVFKSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds2

About 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one (PubChem CID 103715028) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
PubChem CID103715028
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-9(2)12(8)11(13)10(3)14-4/h8-10H,5-7H2,1-4H3/t8-,9+,10?
InChIKeyNRJMPPHIPKBIQC-ULKQDVFKSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one (CID 103715028) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one is COC(C)C(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one?
The InChIKey is NRJMPPHIPKBIQC-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-5-7-9(2)12(8)11(13)10(3)14-4/h8-10H,5-7H2,1-4H3/t8-,9+,10?.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 103715028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).