4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine

C16H20FN3O — CID 46981142

IUPAC4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CN1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FN3O/c1-19-14(5-8-18-19)12-20-9-6-15(7-10-20)21-16-4-2-3-13(17)11-16/h2-5,8,11,15H,6-7,9-10,12H2,1H3
InChIKeyLVMUGRMWQOIIFM-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.60
Rot. Bonds4

About 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine

4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 46981142) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
PubChem CID46981142
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CN1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FN3O/c1-19-14(5-8-18-19)12-20-9-6-15(7-10-20)21-16-4-2-3-13(17)11-16/h2-5,8,11,15H,6-7,9-10,12H2,1H3
InChIKeyLVMUGRMWQOIIFM-UHFFFAOYSA-N
XLogP2.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981140
[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110196219
4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
CID 92617071
3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride
CID 171667424
4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 99839093
4-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-2-(3-fluorophenyl)-5-methyl-1,3-oxazole
CID 42415863
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65066006
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
1-(4-ethylcyclohexyl)oxy-3-fluorobenzene
CID 64766217
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
(4S,5S)-5-(3-fluorophenoxy)-1-[(3-methyl-2-pyridinyl)methyl]azepan-4-ol
CID 155987585

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine (CID 46981142) is 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine is Cn1nccc1CN1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is LVMUGRMWQOIIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-19-14(5-8-18-19)12-20-9-6-15(7-10-20)21-16-4-2-3-13(17)11-16/h2-5,8,11,15H,6-7,9-10,12H2,1H3.
What are the key properties of 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 289.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 46981142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).