2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine

C21H23FN4O — CID 56901556

IUPAC2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESFc1ccc(-n2cccn2)c(CN2CCCC(OCc3ccccn3)C2)c1
InChIInChI=1S/C21H23FN4O/c22-18-7-8-21(26-12-4-10-24-26)17(13-18)14-25-11-3-6-20(15-25)27-16-19-5-1-2-9-23-19/h1-2,4-5,7-10,12-13,20H,3,6,11,14-16H2
InChIKeyKTUFKBCUTDXILP-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.59
Rot. Bonds6

About 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine

2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine (PubChem CID 56901556) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
PubChem CID56901556
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESFc1ccc(-n2cccn2)c(CN2CCCC(OCc3ccccn3)C2)c1
InChIInChI=1S/C21H23FN4O/c22-18-7-8-21(26-12-4-10-24-26)17(13-18)14-25-11-3-6-20(15-25)27-16-19-5-1-2-9-23-19/h1-2,4-5,7-10,12-13,20H,3,6,11,14-16H2
InChIKeyKTUFKBCUTDXILP-UHFFFAOYSA-N
XLogP3.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine (CID 56901556) is 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine is Fc1ccc(-n2cccn2)c(CN2CCCC(OCc3ccccn3)C2)c1.
What is the InChIKey of 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is KTUFKBCUTDXILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-18-7-8-21(26-12-4-10-24-26)17(13-18)14-25-11-3-6-20(15-25)27-16-19-5-1-2-9-23-19/h1-2,4-5,7-10,12-13,20H,3,6,11,14-16H2.
What are the key properties of 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 366.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 56901556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).