2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile

C14H24N2O — CID 62329830

IUPAC2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C14H24N2O/c1-5-14(6-2,10-15)13(17)16-8-7-11(3)9-12(16)4/h11-12H,5-9H2,1-4H3
InChIKeyRONQISUTWHXPAF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.96
Rot. Bonds3

About 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile

2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile (PubChem CID 62329830) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile
PubChem CID62329830
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C14H24N2O/c1-5-14(6-2,10-15)13(17)16-8-7-11(3)9-12(16)4/h11-12H,5-9H2,1-4H3
InChIKeyRONQISUTWHXPAF-UHFFFAOYSA-N
XLogP2.96
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile?
The IUPAC name of 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile (CID 62329830) is 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile.
What is the SMILES notation for 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile?
The canonical SMILES for 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile is CCC(C#N)(CC)C(=O)N1CCC(C)CC1C.
What is the InChIKey of 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile?
The InChIKey is RONQISUTWHXPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-14(6-2,10-15)13(17)16-8-7-11(3)9-12(16)4/h11-12H,5-9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile?
2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile has a molecular weight of 236.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile is sourced from PubChem (CID 62329830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).