4-(4-hydroxypiperidin-1-yl)butan-2-one

C9H17NO2 — CID 58101901

IUPAC4-(4-hydroxypiperidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CCC(O)CC1
InChIInChI=1S/C9H17NO2/c1-8(11)2-5-10-6-3-9(12)4-7-10/h9,12H,2-7H2,1H3
InChIKeyFEHTVXSZGVMQCS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.42
Rot. Bonds3

About 4-(4-hydroxypiperidin-1-yl)butan-2-one

4-(4-hydroxypiperidin-1-yl)butan-2-one (PubChem CID 58101901) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)butan-2-one
PubChem CID58101901
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(4-hydroxypiperidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CCC(O)CC1
InChIInChI=1S/C9H17NO2/c1-8(11)2-5-10-6-3-9(12)4-7-10/h9,12H,2-7H2,1H3
InChIKeyFEHTVXSZGVMQCS-UHFFFAOYSA-N
XLogP0.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-hydroxypiperidin-1-yl)butan-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 4-(4-hydroxypiperidin-1-yl)butan-2-one?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)butan-2-one (CID 58101901) is 4-(4-hydroxypiperidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)butan-2-one?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)butan-2-one is CC(=O)CCN1CCC(O)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)butan-2-one?
The InChIKey is FEHTVXSZGVMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)2-5-10-6-3-9(12)4-7-10/h9,12H,2-7H2,1H3.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)butan-2-one?
4-(4-hydroxypiperidin-1-yl)butan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)butan-2-one is sourced from PubChem (CID 58101901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).