2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile

C14H18FN3 — CID 78916048

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile
SMILESCN(C)C1CCN(c2cccc(F)c2C#N)CC1
InChIInChI=1S/C14H18FN3/c1-17(2)11-6-8-18(9-7-11)14-5-3-4-13(15)12(14)10-16/h3-5,11H,6-9H2,1-2H3
InChIKeyGGMJGUYIJAVWHQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.23
Rot. Bonds2

About 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile

2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile (PubChem CID 78916048) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile
PubChem CID78916048
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile
SMILESCN(C)C1CCN(c2cccc(F)c2C#N)CC1
InChIInChI=1S/C14H18FN3/c1-17(2)11-6-8-18(9-7-11)14-5-3-4-13(15)12(14)10-16/h3-5,11H,6-9H2,1-2H3
InChIKeyGGMJGUYIJAVWHQ-UHFFFAOYSA-N
XLogP2.23
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile 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-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile (CID 78916048) is 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile is CN(C)C1CCN(c2cccc(F)c2C#N)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile?
The InChIKey is GGMJGUYIJAVWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-17(2)11-6-8-18(9-7-11)14-5-3-4-13(15)12(14)10-16/h3-5,11H,6-9H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile?
2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile has a molecular weight of 247.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 78916048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).