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

C18H18FN3O — CID 134611166

IUPAC3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(C3CCNCC3)n2)c(F)c1
InChIInChI=1S/C18H18FN3O/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/h1-5,10,14,21H,6-9,12H2
InChIKeyRVXIKMJHAVIWCV-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.14
Rot. Bonds4

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

3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile (PubChem CID 134611166) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile
PubChem CID134611166
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(C3CCNCC3)n2)c(F)c1
InChIInChI=1S/C18H18FN3O/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/h1-5,10,14,21H,6-9,12H2
InChIKeyRVXIKMJHAVIWCV-UHFFFAOYSA-N
XLogP3.14
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile (CID 134611166) is 3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile is N#Cc1ccc(COc2cccc(C3CCNCC3)n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile?
The InChIKey is RVXIKMJHAVIWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/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/h1-5,10,14,21H,6-9,12H2.
What are the key properties of 3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile?
3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile has a molecular weight of 311.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzonitrile is sourced from PubChem (CID 134611166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).