2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile

C14H23FN2O — CID 126750405

IUPAC2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile
SMILESCCC(C#N)C1(F)CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H23FN2O/c1-5-11(10-16)14(15)6-8-17(9-7-14)12(18)13(2,3)4/h11H,5-9H2,1-4H3
InChIKeySNDZSAAPUAUVAZ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.91
Rot. Bonds2

About 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile

2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile (PubChem CID 126750405) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile
PubChem CID126750405
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile
SMILESCCC(C#N)C1(F)CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H23FN2O/c1-5-11(10-16)14(15)6-8-17(9-7-14)12(18)13(2,3)4/h11H,5-9H2,1-4H3
InChIKeySNDZSAAPUAUVAZ-UHFFFAOYSA-N
XLogP2.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-fluoro-1-methanimidoylpiperidin-4-yl)butanenitrile
CID 145286913
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one
CID 126750228
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile
CID 126750079
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile
CID 126750146
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanenitrile
CID 62734025
3-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-3-oxopropanenitrile
CID 71085223
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
CID 39239237
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 126750142
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile
CID 81103796
1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750157

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile (CID 126750405) is 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile is CCC(C#N)C1(F)CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile?
The InChIKey is SNDZSAAPUAUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-5-11(10-16)14(15)6-8-17(9-7-14)12(18)13(2,3)4/h11H,5-9H2,1-4H3.
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile?
2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile has a molecular weight of 254.35 g/mol, XLogP of 2.91, 2 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)-4-fluoropiperidin-4-yl]butanenitrile is sourced from PubChem (CID 126750405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).