1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one

C11H21NO2 — CID 103429422

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC1CCCC(C)N1C(=O)C(C)(C)O
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-9(2)12(8)10(13)11(3,4)14/h8-9,14H,5-7H2,1-4H3
InChIKeyPNLSPZDODCYJFN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.55
Rot. Bonds1

About 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one

1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 103429422) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID103429422
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC1CCCC(C)N1C(=O)C(C)(C)O
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-9(2)12(8)10(13)11(3,4)14/h8-9,14H,5-7H2,1-4H3
InChIKeyPNLSPZDODCYJFN-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,6-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 79796957
2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76920687
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
(2S,6R)-N-tert-butyl-2,6-dimethylpiperidine-1-carboxamide
CID 104967122
N-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropanamide
CID 103430329
cyclopropyl-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 130610084
(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928383
2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 113270747
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 97051854
1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
CID 3506780

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one (CID 103429422) is 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one is CC1CCCC(C)N1C(=O)C(C)(C)O.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is PNLSPZDODCYJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-5-7-9(2)12(8)10(13)11(3,4)14/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 103429422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).