1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol

C17H22FN3O2 — CID 137341336

IUPAC1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2cc(F)ccc2-n2cccn2)CC1
InChIInChI=1S/C17H22FN3O2/c18-15-2-3-16(21-7-1-6-19-21)14(10-15)11-20-8-4-13(5-9-20)17(23)12-22/h1-3,6-7,10,13,17,22-23H,4-5,8-9,11-12H2
InChIKeyKQLOQSRAFBTPLU-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.58
Rot. Bonds5

About 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol

1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol (PubChem CID 137341336) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol
PubChem CID137341336
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2cc(F)ccc2-n2cccn2)CC1
InChIInChI=1S/C17H22FN3O2/c18-15-2-3-16(21-7-1-6-19-21)14(10-15)11-20-8-4-13(5-9-20)17(23)12-22/h1-3,6-7,10,13,17,22-23H,4-5,8-9,11-12H2
InChIKeyKQLOQSRAFBTPLU-UHFFFAOYSA-N
XLogP1.58
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 131904673
(3S,4S)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113021
2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 45179635
2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98588112
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 156608964
(1S,3R)-3-(2-aminoethoxy)-7-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 133139128
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 106835532
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341
[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 131939511
1-[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 138378455

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol (CID 137341336) is 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol is OCC(O)C1CCN(Cc2cc(F)ccc2-n2cccn2)CC1.
What is the InChIKey of 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol?
The InChIKey is KQLOQSRAFBTPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-15-2-3-16(21-7-1-6-19-21)14(10-15)11-20-8-4-13(5-9-20)17(23)12-22/h1-3,6-7,10,13,17,22-23H,4-5,8-9,11-12H2.
What are the key properties of 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol?
1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol has a molecular weight of 319.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 137341336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).