1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one

C10H19NO2 — CID 130900482

IUPAC1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CC(O)CCC1C
InChIInChI=1S/C10H19NO2/c1-3-4-10(13)11-7-9(12)6-5-8(11)2/h8-9,12H,3-7H2,1-2H3
InChIKeyWKHLHOJFRJXEPC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds2

About 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one

1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one (PubChem CID 130900482) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one
PubChem CID130900482
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CC(O)CCC1C
InChIInChI=1S/C10H19NO2/c1-3-4-10(13)11-7-9(12)6-5-8(11)2/h8-9,12H,3-7H2,1-2H3
InChIKeyWKHLHOJFRJXEPC-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one (CID 130900482) is 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one is CCCC(=O)N1CC(O)CCC1C.
What is the InChIKey of 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one?
The InChIKey is WKHLHOJFRJXEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-10(13)11-7-9(12)6-5-8(11)2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one?
1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 130900482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).