2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile

C14H23FN2O — CID 126750149

IUPAC2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile
SMILESCC(C)(C)C(=O)N1CCC(C(C#N)CCF)CC1
InChIInChI=1S/C14H23FN2O/c1-14(2,3)13(18)17-8-5-11(6-9-17)12(10-16)4-7-15/h11-12H,4-9H2,1-3H3
InChIKeyXORNGQDSMCJBQQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.77
Rot. Bonds3

About 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile (PubChem CID 126750149) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile
PubChem CID126750149
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile
SMILESCC(C)(C)C(=O)N1CCC(C(C#N)CCF)CC1
InChIInChI=1S/C14H23FN2O/c1-14(2,3)13(18)17-8-5-11(6-9-17)12(10-16)4-7-15/h11-12H,4-9H2,1-3H3
InChIKeyXORNGQDSMCJBQQ-UHFFFAOYSA-N
XLogP2.77
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile (CID 126750149) is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile is CC(C)(C)C(=O)N1CCC(C(C#N)CCF)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile?
The InChIKey is XORNGQDSMCJBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-14(2,3)13(18)17-8-5-11(6-9-17)12(10-16)4-7-15/h11-12H,4-9H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile?
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile has a molecular weight of 254.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-fluorobutanenitrile is sourced from PubChem (CID 126750149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).