2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile

C13H22N2O2 — CID 81103796

IUPAC2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile
SMILESCCC(C#N)(CC)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C13H22N2O2/c1-4-13(5-2,10-14)11(16)15-8-6-12(3,17)7-9-15/h17H,4-9H2,1-3H3
InChIKeyFMENLYFJJVVUGX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.69
Rot. Bonds3

About 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile

2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile (PubChem CID 81103796) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile
PubChem CID81103796
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile
SMILESCCC(C#N)(CC)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C13H22N2O2/c1-4-13(5-2,10-14)11(16)15-8-6-12(3,17)7-9-15/h17H,4-9H2,1-3H3
InChIKeyFMENLYFJJVVUGX-UHFFFAOYSA-N
XLogP1.69
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile?
The IUPAC name of 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile (CID 81103796) is 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile?
The canonical SMILES for 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile is CCC(C#N)(CC)C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile?
The InChIKey is FMENLYFJJVVUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-13(5-2,10-14)11(16)15-8-6-12(3,17)7-9-15/h17H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile?
2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile has a molecular weight of 238.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile is sourced from PubChem (CID 81103796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).