3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile

C15H20FN3 — CID 106643489

IUPAC3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile
SMILESCCN(CC1CCCNC1)c1cc(F)cc(C#N)c1
InChIInChI=1S/C15H20FN3/c1-2-19(11-12-4-3-5-18-10-12)15-7-13(9-17)6-14(16)8-15/h6-8,12,18H,2-5,10-11H2,1H3
InChIKeyQGUXDQNQUSIRHW-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.52
Rot. Bonds4

About 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile

3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile (PubChem CID 106643489) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile
PubChem CID106643489
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile
SMILESCCN(CC1CCCNC1)c1cc(F)cc(C#N)c1
InChIInChI=1S/C15H20FN3/c1-2-19(11-12-4-3-5-18-10-12)15-7-13(9-17)6-14(16)8-15/h6-8,12,18H,2-5,10-11H2,1H3
InChIKeyQGUXDQNQUSIRHW-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl(piperidin-3-ylmethyl)amino]-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-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile
CID 106620098
3,5-difluoro-4-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642871
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
2-bromo-4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzonitrile
CID 107537813
3-[ethyl(piperidin-3-ylmethyl)amino]pyrazine-2-carbonitrile
CID 106643570
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
3-bromo-5-[piperidin-3-ylmethyl(propan-2-yl)amino]benzonitrile
CID 106643007
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide
CID 103102397
N-ethyl-3-iodo-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643390
N-ethyl-2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643566

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile?
The IUPAC name of 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile (CID 106643489) is 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile is CCN(CC1CCCNC1)c1cc(F)cc(C#N)c1.
What is the InChIKey of 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile?
The InChIKey is QGUXDQNQUSIRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-19(11-12-4-3-5-18-10-12)15-7-13(9-17)6-14(16)8-15/h6-8,12,18H,2-5,10-11H2,1H3.
What are the key properties of 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile?
3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile has a molecular weight of 261.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 106643489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).