2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile

C15H19FN2O — CID 107118727

IUPAC2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile
SMILESN#Cc1cccc(COCCC2CCCNC2)c1F
InChIInChI=1S/C15H19FN2O/c16-15-13(9-17)4-1-5-14(15)11-19-8-6-12-3-2-7-18-10-12/h1,4-5,12,18H,2-3,6-8,10-11H2
InChIKeyGDUKJHVJIAEGPF-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.60
Rot. Bonds5

About 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile

2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile (PubChem CID 107118727) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile
PubChem CID107118727
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile
SMILESN#Cc1cccc(COCCC2CCCNC2)c1F
InChIInChI=1S/C15H19FN2O/c16-15-13(9-17)4-1-5-14(15)11-19-8-6-12-3-2-7-18-10-12/h1,4-5,12,18H,2-3,6-8,10-11H2
InChIKeyGDUKJHVJIAEGPF-UHFFFAOYSA-N
XLogP2.60
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile 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-(2-cyclobutylethoxymethyl)-2-fluorobenzonitrile
CID 106201634
3-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107119079
8-(2-piperidin-3-ylethoxymethyl)quinoline
CID 62356483
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
3-fluoro-4-(2-pyrrolidin-3-ylethoxymethyl)benzonitrile
CID 114796091
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
CID 86320757
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile
CID 151134961

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile?
The IUPAC name of 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile (CID 107118727) is 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile?
The canonical SMILES for 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile is N#Cc1cccc(COCCC2CCCNC2)c1F.
What is the InChIKey of 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile?
The InChIKey is GDUKJHVJIAEGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-15-13(9-17)4-1-5-14(15)11-19-8-6-12-3-2-7-18-10-12/h1,4-5,12,18H,2-3,6-8,10-11H2.
What are the key properties of 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile?
2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile is sourced from PubChem (CID 107118727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).