1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one

C11H21NO2 — CID 115647053

IUPAC1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-12(9(8)2)11(13)10(3)14-4/h8-10H,5-7H2,1-4H3
InChIKeyKMLKIHFTPNUUOU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds2

About 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one

1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one (PubChem CID 115647053) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
PubChem CID115647053
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-12(9(8)2)11(13)10(3)14-4/h8-10H,5-7H2,1-4H3
InChIKeyKMLKIHFTPNUUOU-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one
CID 62637898
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
CID 130709295
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 104903392
2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 115870238
2-bromo-1-(2,3-dimethylpiperidin-1-yl)butan-1-one
CID 62856002
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 130815989
2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 130847241
ethyl 2-(2,3-dimethylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537998

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one (CID 115647053) is 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1CCCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is KMLKIHFTPNUUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-5-7-12(9(8)2)11(13)10(3)14-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one?
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 115647053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).