(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone

C13H24N2O2 — CID 114424311

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
SMILESCC1CCNC(C(=O)N2CCC(C)(O)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10-3-6-14-11(9-10)12(16)15-7-4-13(2,17)5-8-15/h10-11,14,17H,3-9H2,1-2H3
InChIKeyDLBJPCDFQPGFLG-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone (PubChem CID 114424311) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
PubChem CID114424311
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
SMILESCC1CCNC(C(=O)N2CCC(C)(O)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10-3-6-14-11(9-10)12(16)15-7-4-13(2,17)5-8-15/h10-11,14,17H,3-9H2,1-2H3
InChIKeyDLBJPCDFQPGFLG-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone 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-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone (CID 114424311) is (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone is CC1CCNC(C(=O)N2CCC(C)(O)CC2)C1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone?
The InChIKey is DLBJPCDFQPGFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-3-6-14-11(9-10)12(16)15-7-4-13(2,17)5-8-15/h10-11,14,17H,3-9H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 114424311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).