1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol

C16H20FN3O — CID 45196985

IUPAC1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol
SMILESCn1cc(CN2CCCC(O)C2)c(-c2ccccc2F)n1
InChIInChI=1S/C16H20FN3O/c1-19-9-12(10-20-8-4-5-13(21)11-20)16(18-19)14-6-2-3-7-15(14)17/h2-3,6-7,9,13,21H,4-5,8,10-11H2,1H3
InChIKeyHMYBNGMPILSJBG-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.18
Rot. Bonds3

About 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol

1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol (PubChem CID 45196985) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol
PubChem CID45196985
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol
SMILESCn1cc(CN2CCCC(O)C2)c(-c2ccccc2F)n1
InChIInChI=1S/C16H20FN3O/c1-19-9-12(10-20-8-4-5-13(21)11-20)16(18-19)14-6-2-3-7-15(14)17/h2-3,6-7,9,13,21H,4-5,8,10-11H2,1H3
InChIKeyHMYBNGMPILSJBG-UHFFFAOYSA-N
XLogP2.18
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol (CID 45196985) is 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol is Cn1cc(CN2CCCC(O)C2)c(-c2ccccc2F)n1.
What is the InChIKey of 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is HMYBNGMPILSJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-19-9-12(10-20-8-4-5-13(21)11-20)16(18-19)14-6-2-3-7-15(14)17/h2-3,6-7,9,13,21H,4-5,8,10-11H2,1H3.
What are the key properties of 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol?
1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 289.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 45196985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).