1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one

C13H26N2O2 — CID 66173488

IUPAC1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(CC(C)(O)CC(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-10(2)8-13(3,17)9-15-7-5-6-11(14-4)12(15)16/h10-11,14,17H,5-9H2,1-4H3
InChIKeyRMJCYFYTMLPHMP-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds5

About 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one

1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one (PubChem CID 66173488) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one
PubChem CID66173488
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(CC(C)(O)CC(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-10(2)8-13(3,17)9-15-7-5-6-11(14-4)12(15)16/h10-11,14,17H,5-9H2,1-4H3
InChIKeyRMJCYFYTMLPHMP-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one?
The IUPAC name of 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one (CID 66173488) is 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one?
The canonical SMILES for 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one is CNC1CCCN(CC(C)(O)CC(C)C)C1=O.
What is the InChIKey of 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one?
The InChIKey is RMJCYFYTMLPHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)8-13(3,17)9-15-7-5-6-11(14-4)12(15)16/h10-11,14,17H,5-9H2,1-4H3.
What are the key properties of 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one?
1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one has a molecular weight of 242.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 66173488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).