6-hydroxy-6-pentylpiperidin-2-one

C10H19NO2 — CID 139997948

IUPAC6-hydroxy-6-pentylpiperidin-2-one
SMILESCCCCCC1(O)CCCC(=O)N1
InChIInChI=1S/C10H19NO2/c1-2-3-4-7-10(13)8-5-6-9(12)11-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyFMLQNTZKZCAFCV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.56
Rot. Bonds4

About 6-hydroxy-6-pentylpiperidin-2-one

6-hydroxy-6-pentylpiperidin-2-one (PubChem CID 139997948) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-hydroxy-6-pentylpiperidin-2-one.

Molecular Properties

Compound Name6-hydroxy-6-pentylpiperidin-2-one
PubChem CID139997948
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name6-hydroxy-6-pentylpiperidin-2-one
SMILESCCCCCC1(O)CCCC(=O)N1
InChIInChI=1S/C10H19NO2/c1-2-3-4-7-10(13)8-5-6-9(12)11-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyFMLQNTZKZCAFCV-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-hydroxy-6-pentylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-pentylpiperidin-2-one?
The IUPAC name of 6-hydroxy-6-pentylpiperidin-2-one (CID 139997948) is 6-hydroxy-6-pentylpiperidin-2-one.
What is the SMILES notation for 6-hydroxy-6-pentylpiperidin-2-one?
The canonical SMILES for 6-hydroxy-6-pentylpiperidin-2-one is CCCCCC1(O)CCCC(=O)N1.
What is the InChIKey of 6-hydroxy-6-pentylpiperidin-2-one?
The InChIKey is FMLQNTZKZCAFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-7-10(13)8-5-6-9(12)11-10/h13H,2-8H2,1H3,(H,11,12).
What are the key properties of 6-hydroxy-6-pentylpiperidin-2-one?
6-hydroxy-6-pentylpiperidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-pentylpiperidin-2-one is sourced from PubChem (CID 139997948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).