1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one

C13H25NO2 — CID 71104203

IUPAC1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C13H25NO2/c1-3-11(2)10-13(16)14-8-5-4-6-12(14)7-9-15/h11-12,15H,3-10H2,1-2H3/t11?,12-/m0/s1
InChIKeyUSCMWCOFTWNGSS-KIYNQFGBSA-N
MW227.35 g/mol
LogP2.19
Rot. Bonds5

About 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one

1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one (PubChem CID 71104203) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
PubChem CID71104203
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C13H25NO2/c1-3-11(2)10-13(16)14-8-5-4-6-12(14)7-9-15/h11-12,15H,3-10H2,1-2H3/t11?,12-/m0/s1
InChIKeyUSCMWCOFTWNGSS-KIYNQFGBSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-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-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one (CID 71104203) is 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one is CCC(C)CC(=O)N1CCCC[C@H]1CCO.
What is the InChIKey of 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one?
The InChIKey is USCMWCOFTWNGSS-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-11(2)10-13(16)14-8-5-4-6-12(14)7-9-15/h11-12,15H,3-10H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one?
1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 71104203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).