4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine

C16H20FN3O — CID 166090460

IUPAC4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
SMILESCc1cc(Cc2nn(O)cc2C2CCNCC2)ccc1F
InChIInChI=1S/C16H20FN3O/c1-11-8-12(2-3-15(11)17)9-16-14(10-20(21)19-16)13-4-6-18-7-5-13/h2-3,8,10,13,18,21H,4-7,9H2,1H3
InChIKeyXFCGJILYNKEWDV-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.63
Rot. Bonds3

About 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine

4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine (PubChem CID 166090460) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
PubChem CID166090460
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
SMILESCc1cc(Cc2nn(O)cc2C2CCNCC2)ccc1F
InChIInChI=1S/C16H20FN3O/c1-11-8-12(2-3-15(11)17)9-16-14(10-20(21)19-16)13-4-6-18-7-5-13/h2-3,8,10,13,18,21H,4-7,9H2,1H3
InChIKeyXFCGJILYNKEWDV-UHFFFAOYSA-N
XLogP2.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090482
4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 177245975
4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090519
4-(3-benzyl-1-hydroxypyrazol-4-yl)piperidine
CID 46204538
N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56714946
4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
CID 110090018
4-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyridine
CID 95844382
N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine
CID 88940791
4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine
CID 18187705
4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926309
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
The IUPAC name of 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine (CID 166090460) is 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
The canonical SMILES for 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine is Cc1cc(Cc2nn(O)cc2C2CCNCC2)ccc1F.
What is the InChIKey of 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
The InChIKey is XFCGJILYNKEWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11-8-12(2-3-15(11)17)9-16-14(10-20(21)19-16)13-4-6-18-7-5-13/h2-3,8,10,13,18,21H,4-7,9H2,1H3.
What are the key properties of 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine has a molecular weight of 289.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine is sourced from PubChem (CID 166090460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).