3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile

C15H20FN3 — CID 102815985

IUPAC3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile
SMILESCCN1CCC(CNc2cc(F)cc(C#N)c2)CC1
InChIInChI=1S/C15H20FN3/c1-2-19-5-3-12(4-6-19)11-18-15-8-13(10-17)7-14(16)9-15/h7-9,12,18H,2-6,11H2,1H3
InChIKeyFCWNPAAEZORXGW-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.84
Rot. Bonds4

About 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile

3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile (PubChem CID 102815985) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile
PubChem CID102815985
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile
SMILESCCN1CCC(CNc2cc(F)cc(C#N)c2)CC1
InChIInChI=1S/C15H20FN3/c1-2-19-5-3-12(4-6-19)11-18-15-8-13(10-17)7-14(16)9-15/h7-9,12,18H,2-6,11H2,1H3
InChIKeyFCWNPAAEZORXGW-UHFFFAOYSA-N
XLogP2.84
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile 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

3-fluoro-5-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzonitrile
CID 102816061
3-fluoro-5-[(1-methylpyrrolidin-2-yl)methylamino]benzonitrile
CID 114138233
4-[(3-cyano-5-fluoroanilino)methyl]cyclohexane-1-carboxylic acid
CID 172582962
3-(2-cyclobutylethylamino)-5-fluorobenzonitrile
CID 102817361
3-fluoro-5-(oxan-2-ylmethylamino)benzonitrile
CID 102815946
3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile
CID 102818911
1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 115506828
3-bromo-5-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 102822285
2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 62375945
4-chloro-2-[(1-ethylpiperidin-4-yl)methylamino]benzonitrile
CID 63082092
3-(2-ethoxypropylamino)-5-fluorobenzonitrile
CID 102817349
4-[(1-ethylpyrrolidin-3-yl)methylamino]-2-methylbenzonitrile
CID 81273896

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile (CID 102815985) is 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile is CCN1CCC(CNc2cc(F)cc(C#N)c2)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile?
The InChIKey is FCWNPAAEZORXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-19-5-3-12(4-6-19)11-18-15-8-13(10-17)7-14(16)9-15/h7-9,12,18H,2-6,11H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile?
3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile has a molecular weight of 261.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile is sourced from PubChem (CID 102815985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).