1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one

C13H25NO2 — CID 123812456

IUPAC1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)N1CCC(C)C(CC)C1
InChIInChI=1S/C13H25NO2/c1-4-6-12(15)13(16)14-8-7-10(3)11(5-2)9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyKACNRCNVALQXRD-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.04
Rot. Bonds4

About 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one

1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one (PubChem CID 123812456) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one
PubChem CID123812456
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)N1CCC(C)C(CC)C1
InChIInChI=1S/C13H25NO2/c1-4-6-12(15)13(16)14-8-7-10(3)11(5-2)9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyKACNRCNVALQXRD-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-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-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one?
The IUPAC name of 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one (CID 123812456) is 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one?
The canonical SMILES for 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one is CCCC(O)C(=O)N1CCC(C)C(CC)C1.
What is the InChIKey of 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one?
The InChIKey is KACNRCNVALQXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-12(15)13(16)14-8-7-10(3)11(5-2)9-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one?
1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one is sourced from PubChem (CID 123812456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).