2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile

C12H20N2O — CID 114290889

IUPAC2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C12H20N2O/c1-4-12(3,9-13)11(15)14-7-5-6-10(2)8-14/h10H,4-8H2,1-3H3
InChIKeyBMYNJTOZCKOKHH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.18
Rot. Bonds2

About 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile

2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile (PubChem CID 114290889) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
PubChem CID114290889
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C12H20N2O/c1-4-12(3,9-13)11(15)14-7-5-6-10(2)8-14/h10H,4-8H2,1-3H3
InChIKeyBMYNJTOZCKOKHH-UHFFFAOYSA-N
XLogP2.18
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
CID 102957679
2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)butanenitrile
CID 114291704
2-methyl-2-(1,4-oxazepane-4-carbonyl)butanenitrile
CID 114291464
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile
CID 114797595
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
1-(2-cyano-2-methylbutanoyl)pyrrolidine-2-carboxamide
CID 114291053
2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile
CID 114291223
(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile
CID 164642267
methyl 1-(2-cyano-2-methylbutanoyl)piperidine-4-carboxylate
CID 114291031
methyl 2-[4-(2-cyano-2-methylbutanoyl)morpholin-2-yl]acetate
CID 115534498
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 62836548

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile?
The IUPAC name of 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile (CID 114290889) is 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile.
What is the SMILES notation for 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile?
The canonical SMILES for 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile is CCC(C)(C#N)C(=O)N1CCCC(C)C1.
What is the InChIKey of 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile?
The InChIKey is BMYNJTOZCKOKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(3,9-13)11(15)14-7-5-6-10(2)8-14/h10H,4-8H2,1-3H3.
What are the key properties of 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile?
2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile has a molecular weight of 208.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile is sourced from PubChem (CID 114290889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).