5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile

C14H18FN3O — CID 63869672

IUPAC5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCCOC1CCNCC1
InChIInChI=1S/C14H18FN3O/c15-12-1-2-14(11(9-12)10-16)18-7-8-19-13-3-5-17-6-4-13/h1-2,9,13,17-18H,3-8H2
InChIKeyJZCGVEBCGLUZIJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.88
Rot. Bonds5

About 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile

5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile (PubChem CID 63869672) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile
PubChem CID63869672
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCCOC1CCNCC1
InChIInChI=1S/C14H18FN3O/c15-12-1-2-14(11(9-12)10-16)18-7-8-19-13-3-5-17-6-4-13/h1-2,9,13,17-18H,3-8H2
InChIKeyJZCGVEBCGLUZIJ-UHFFFAOYSA-N
XLogP1.88
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile?
The IUPAC name of 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile (CID 63869672) is 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile?
The canonical SMILES for 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile is N#Cc1cc(F)ccc1NCCOC1CCNCC1.
What is the InChIKey of 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile?
The InChIKey is JZCGVEBCGLUZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-12-1-2-14(11(9-12)10-16)18-7-8-19-13-3-5-17-6-4-13/h1-2,9,13,17-18H,3-8H2.
What are the key properties of 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile?
5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile has a molecular weight of 263.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile is sourced from PubChem (CID 63869672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).