4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one

C10H19NO2 — CID 58959832

IUPAC4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)CCCO)CC1
InChIInChI=1S/C10H19NO2/c1-9-4-6-11(7-5-9)10(13)3-2-8-12/h9,12H,2-8H2,1H3
InChIKeyJMXFSGOGLOVWQF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds3

About 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one

4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one (PubChem CID 58959832) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one
PubChem CID58959832
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)CCCO)CC1
InChIInChI=1S/C10H19NO2/c1-9-4-6-11(7-5-9)10(13)3-2-8-12/h9,12H,2-8H2,1H3
InChIKeyJMXFSGOGLOVWQF-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one (CID 58959832) is 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one is CC1CCN(C(=O)CCCO)CC1.
What is the InChIKey of 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is JMXFSGOGLOVWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9-4-6-11(7-5-9)10(13)3-2-8-12/h9,12H,2-8H2,1H3.
What are the key properties of 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one?
4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 58959832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).