3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine

C21H23FN4O — CID 56896204

IUPAC3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESFc1ccc(-n2cccn2)c(CN2CCC(OCc3cccnc3)CC2)c1
InChIInChI=1S/C21H23FN4O/c22-19-4-5-21(26-10-2-9-24-26)18(13-19)15-25-11-6-20(7-12-25)27-16-17-3-1-8-23-14-17/h1-5,8-10,13-14,20H,6-7,11-12,15-16H2
InChIKeyAMDURQUENFDDQN-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.59
Rot. Bonds6

About 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine

3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 56896204) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID56896204
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESFc1ccc(-n2cccn2)c(CN2CCC(OCc3cccnc3)CC2)c1
InChIInChI=1S/C21H23FN4O/c22-19-4-5-21(26-10-2-9-24-26)18(13-19)15-25-11-6-20(7-12-25)27-16-17-3-1-8-23-14-17/h1-5,8-10,13-14,20H,6-7,11-12,15-16H2
InChIKeyAMDURQUENFDDQN-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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Related Compounds

1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561401
1'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561402
1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
CID 25059251
2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97463835
7-(Pyridin-3-ylmethoxymethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 118739234
7-(Pyridin-3-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 118739239
2-[3-(3-Fluorophenyl)pyrazin-2-YL]-4-[(1-methylpyrazol-4-YL)methyl]morpholine
CID 118740130
2-[6-(3-Fluorophenyl)pyridin-2-YL]-4-[(1-methylpyrazol-4-YL)methyl]morpholine
CID 118740141
8-(4-Fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 118742849
7-(Pyridin-3-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 118747045
3-[({1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-3-piperidinyl}oxy)methyl]pyridine
CID 56896012
3-[({1-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-4-piperidinyl}oxy)methyl]pyridine
CID 56891941

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine (CID 56896204) is 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine is Fc1ccc(-n2cccn2)c(CN2CCC(OCc3cccnc3)CC2)c1.
What is the InChIKey of 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is AMDURQUENFDDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-19-4-5-21(26-10-2-9-24-26)18(13-19)15-25-11-6-20(7-12-25)27-16-17-3-1-8-23-14-17/h1-5,8-10,13-14,20H,6-7,11-12,15-16H2.
What are the key properties of 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine?
3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-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 3-[[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 56896204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).