1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one

C13H25NO2 — CID 123734816

IUPAC1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one
SMILESCCC(C)C(=O)CCCN1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-3-11(2)13(16)5-4-8-14-9-6-12(15)7-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyODJXYIIUZQPDFF-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds6

About 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one

1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one (PubChem CID 123734816) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one
PubChem CID123734816
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one
SMILESCCC(C)C(=O)CCCN1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-3-11(2)13(16)5-4-8-14-9-6-12(15)7-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyODJXYIIUZQPDFF-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-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 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one (CID 123734816) is 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one is CCC(C)C(=O)CCCN1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one?
The InChIKey is ODJXYIIUZQPDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-11(2)13(16)5-4-8-14-9-6-12(15)7-10-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one?
1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one has a molecular weight of 227.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one is sourced from PubChem (CID 123734816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).