2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine

C14H16FN3 — CID 175103281

IUPAC2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine
SMILESFc1ccc(-n2ccc(C3CCCCN3)n2)cc1
InChIInChI=1S/C14H16FN3/c15-11-4-6-12(7-5-11)18-10-8-14(17-18)13-3-1-2-9-16-13/h4-8,10,13,16H,1-3,9H2
InChIKeyGUUOPLIZIFQNIG-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.83
Rot. Bonds2

About 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine

2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine (PubChem CID 175103281) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine
PubChem CID175103281
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine
SMILESFc1ccc(-n2ccc(C3CCCCN3)n2)cc1
InChIInChI=1S/C14H16FN3/c15-11-4-6-12(7-5-11)18-10-8-14(17-18)13-3-1-2-9-16-13/h4-8,10,13,16H,1-3,9H2
InChIKeyGUUOPLIZIFQNIG-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride
CID 175103280
2-(1-methylpyrazol-3-yl)azepane
CID 103729377
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524
3-piperidin-2-yl-1,2-oxazole
CID 57061053
3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride
CID 154577410
3-fluoro-2-methyl-6-[(2R)-piperidin-2-yl]pyridine
CID 130972186
2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704684
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
4-fluoro-2-[(2R)-pyrrolidin-2-yl]pyridine
CID 130713831
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine (CID 175103281) is 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine is Fc1ccc(-n2ccc(C3CCCCN3)n2)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine?
The InChIKey is GUUOPLIZIFQNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-11-4-6-12(7-5-11)18-10-8-14(17-18)13-3-1-2-9-16-13/h4-8,10,13,16H,1-3,9H2.
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine?
2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine has a molecular weight of 245.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine is sourced from PubChem (CID 175103281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).