4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine

C15H18FN3 — CID 117402200

IUPAC4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine
SMILESFc1cc(CC2CCNCC2)ccc1-n1cccn1
InChIInChI=1S/C15H18FN3/c16-14-11-13(10-12-4-7-17-8-5-12)2-3-15(14)19-9-1-6-18-19/h1-3,6,9,11-12,17H,4-5,7-8,10H2
InChIKeyAMJQDLGJHNMYSA-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.55
Rot. Bonds3

About 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine

4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine (PubChem CID 117402200) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine
PubChem CID117402200
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine
SMILESFc1cc(CC2CCNCC2)ccc1-n1cccn1
InChIInChI=1S/C15H18FN3/c16-14-11-13(10-12-4-7-17-8-5-12)2-3-15(14)19-9-1-6-18-19/h1-3,6,9,11-12,17H,4-5,7-8,10H2
InChIKeyAMJQDLGJHNMYSA-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
CID 115054107
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 117295562
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 43275370
4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
CID 117343574
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine
CID 117468071
4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
CID 133480564
(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 122135997
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole
CID 58758348
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine (CID 117402200) is 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine is Fc1cc(CC2CCNCC2)ccc1-n1cccn1.
What is the InChIKey of 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine?
The InChIKey is AMJQDLGJHNMYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-14-11-13(10-12-4-7-17-8-5-12)2-3-15(14)19-9-1-6-18-19/h1-3,6,9,11-12,17H,4-5,7-8,10H2.
What are the key properties of 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine?
4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine has a molecular weight of 259.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117402200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).