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

C17H22FN3O2 — CID 155990623

IUPAC3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCn1ccc(CN2CCCC(O)(COc3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-20-10-7-15(19-20)11-21-9-2-8-17(22,12-21)13-23-16-5-3-14(18)4-6-16/h3-7,10,22H,2,8-9,11-13H2,1H3
InChIKeyNGLNJOZQFZYNIJ-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.97
Rot. Bonds5

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

3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol (PubChem CID 155990623) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol
PubChem CID155990623
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCn1ccc(CN2CCCC(O)(COc3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-20-10-7-15(19-20)11-21-9-2-8-17(22,12-21)13-23-16-5-3-14(18)4-6-16/h3-7,10,22H,2,8-9,11-13H2,1H3
InChIKeyNGLNJOZQFZYNIJ-UHFFFAOYSA-N
XLogP1.97
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenoxy)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-ol
CID 132648969
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 155990699
N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155990783
2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 125006358
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991889
N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991884
3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 132776861
3,3-diethyl-1-[(1-methylpyrazol-3-yl)methyl]-1,4-diazepane
CID 82870894
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol
CID 132768212
3-(phenoxymethyl)-1-[[4-(3-pyrazol-1-ylpropoxy)phenyl]methyl]piperidin-3-ol
CID 132772135
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 132649278
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
CID 155990558

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol (CID 155990623) is 3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol is Cn1ccc(CN2CCCC(O)(COc3ccc(F)cc3)C2)n1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is NGLNJOZQFZYNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-20-10-7-15(19-20)11-21-9-2-8-17(22,12-21)13-23-16-5-3-14(18)4-6-16/h3-7,10,22H,2,8-9,11-13H2,1H3.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol?
3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 319.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 155990623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).