2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile

C15H26N2O — CID 88809357

IUPAC2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile
SMILESCCC(C)C(=O)C1CC(C)(C)N(C#N)C(C)(C)C1
InChIInChI=1S/C15H26N2O/c1-7-11(2)13(18)12-8-14(3,4)17(10-16)15(5,6)9-12/h11-12H,7-9H2,1-6H3
InChIKeyCJFIUXUMSGHSAD-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.35
Rot. Bonds3

About 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile

2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile (PubChem CID 88809357) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile
PubChem CID88809357
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile
SMILESCCC(C)C(=O)C1CC(C)(C)N(C#N)C(C)(C)C1
InChIInChI=1S/C15H26N2O/c1-7-11(2)13(18)12-8-14(3,4)17(10-16)15(5,6)9-12/h11-12H,7-9H2,1-6H3
InChIKeyCJFIUXUMSGHSAD-UHFFFAOYSA-N
XLogP3.35
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile?
The IUPAC name of 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile (CID 88809357) is 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile?
The canonical SMILES for 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile is CCC(C)C(=O)C1CC(C)(C)N(C#N)C(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile?
The InChIKey is CJFIUXUMSGHSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-7-11(2)13(18)12-8-14(3,4)17(10-16)15(5,6)9-12/h11-12H,7-9H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile?
2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-(2-methylbutanoyl)piperidine-1-carbonitrile is sourced from PubChem (CID 88809357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).