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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Related Compounds

2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 81103514
2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile
CID 63161683
2-ethyl-2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile
CID 63979779
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126972962
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)-2-ethylbutanenitrile
CID 63151300
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanenitrile
CID 62734025
2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)butanenitrile
CID 66369871
2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
CID 107404378
2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide
CID 81115738
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895

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).