3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile

C18H17FN3O- — CID 178135367

IUPAC3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(C3CC[N-]CC3)n2)c(F)c1
InChIInChI=1S/C18H17FN3O/c19-16-10-13(11-20)4-5-15(16)12-23-18-3-1-2-17(22-18)14-6-8-21-9-7-14/h1-5,10,14H,6-9,12H2/q-1
InChIKeyOCTZOJACUDXKON-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.92
Rot. Bonds4

About 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile

3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile (PubChem CID 178135367) has the molecular formula C18H17FN3O- and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile
PubChem CID178135367
Molecular FormulaC18H17FN3O-
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(C3CC[N-]CC3)n2)c(F)c1
InChIInChI=1S/C18H17FN3O/c19-16-10-13(11-20)4-5-15(16)12-23-18-3-1-2-17(22-18)14-6-8-21-9-7-14/h1-5,10,14H,6-9,12H2/q-1
InChIKeyOCTZOJACUDXKON-UHFFFAOYSA-N
XLogP3.92
TPSA60.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]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

4-[(6-chloro-2-pyridinyl)oxymethyl]-3-fluorobenzonitrile
CID 134611185
3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
CID 156731509
3-fluoro-4-[[6-[1-[5-(2H-tetrazol-5-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]benzonitrile
CID 164602358
4-[[6-(azetidin-3-ylamino)-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 165174651
4-[[6-[1-[[1-(2-dimethylphosphanylethyl)-6-methylbenzimidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 178135051
3-fluoro-4-[[6-[1-[[1-(oxetan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]benzonitrile
CID 175799448
3-fluoro-4-[[6-[1-[(1S)-1-[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]ethyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]benzonitrile
CID 175368075
(3S)-4-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxylic acid
CID 164708910
3-fluoro-4-[[6-[4-(2-oxoethyl)cyclohexen-1-yl]-2-pyridinyl]oxymethyl]benzonitrile
CID 166715618
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1,3-benzothiazole-6-carboxylate
CID 178135601
(4R)-4-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-8-carboxylic acid
CID 162737808
4-[[6-[1-[[6-bromo-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 168757436

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile (CID 178135367) is 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile is N#Cc1ccc(COc2cccc(C3CC[N-]CC3)n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile?
The InChIKey is OCTZOJACUDXKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN3O/c19-16-10-13(11-20)4-5-15(16)12-23-18-3-1-2-17(22-18)14-6-8-21-9-7-14/h1-5,10,14H,6-9,12H2/q-1.
What are the key properties of 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile?
3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile has a molecular weight of 310.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile is sourced from PubChem (CID 178135367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).