1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C11H21NO2 — CID 18431114

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1CO
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(14)12-7-5-4-6-9(12)8-13/h9,13H,4-8H2,1-3H3
InChIKeyTZXIUFQURLLCIL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds1

About 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 18431114) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID18431114
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1CO
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(14)12-7-5-4-6-9(12)8-13/h9,13H,4-8H2,1-3H3
InChIKeyTZXIUFQURLLCIL-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 71844720
3-Piperidinol, 1-acetyl-6-methyl-
CID 567635
1-(1Methylpropylcarbonyl)-2-(hydroxyethyl)-piperidine
CID 15376470
N-[4-[2-(hydroxymethyl)piperidin-1-yl]but-2-ynyl]-N-methylacetamide
CID 14896495
3,3,3-Trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421699
4,4,4-Trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 65710966
3,3,3-Trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103310144
2,2-Difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 130649483
1-(5-Hydroxy-2-propylpiperidin-1-yl)ethanone
CID 538237
3-Piperidinol, 1-acetyl-6-propyl-, (3R-trans)-
CID 91691684
1-[2-(2-Hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 9815750
1-[2-(Hydroxymethyl)piperidin-1-yl]ethan-1-one
CID 14043897

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 18431114) is 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is TZXIUFQURLLCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)10(14)12-7-5-4-6-9(12)8-13/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 18431114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).