1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone

C8H15NO2 — CID 93498601

IUPAC1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](O)CC[C@H]1C
InChIInChI=1S/C8H15NO2/c1-6-3-4-8(11)5-9(6)7(2)10/h6,8,11H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyVBEPRTVWWALZEV-HTRCEHHLSA-N
MW157.21 g/mol
LogP0.38
Rot. Bonds

About 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone

1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone (PubChem CID 93498601) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
PubChem CID93498601
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](O)CC[C@H]1C
InChIInChI=1S/C8H15NO2/c1-6-3-4-8(11)5-9(6)7(2)10/h6,8,11H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyVBEPRTVWWALZEV-HTRCEHHLSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one
CID 130900482
(2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide
CID 122236611
6-hydroxy-2-methylazepane-1-carboxylic acid
CID 151434062
1,6-dimethylpiperidin-3-ol;ethane
CID 170766589
1-(1-acetyl-4-hydroxypyrrolidin-2-yl)ethanone
CID 20687038
1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
CID 58595355
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone (CID 93498601) is 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone is CC(=O)N1C[C@H](O)CC[C@H]1C.
What is the InChIKey of 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone?
The InChIKey is VBEPRTVWWALZEV-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-4-8(11)5-9(6)7(2)10/h6,8,11H,3-5H2,1-2H3/t6-,8-/m1/s1.
What are the key properties of 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone?
1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 93498601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).