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

C14H17ClFN3 — CID 175103280

IUPAC2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride
SMILESCl.Fc1ccc(-n2ccc(C3CCCCN3)n2)cc1
InChIInChI=1S/C14H16FN3.ClH/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;1H
InChIKeyBIAMIYXKGMRRFG-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.25
Rot. Bonds2

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

2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride (PubChem CID 175103280) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride
PubChem CID175103280
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride
SMILESCl.Fc1ccc(-n2ccc(C3CCCCN3)n2)cc1
InChIInChI=1S/C14H16FN3.ClH/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;1H
InChIKeyBIAMIYXKGMRRFG-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride (CID 175103280) is 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride is Cl.Fc1ccc(-n2ccc(C3CCCCN3)n2)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride?
The InChIKey is BIAMIYXKGMRRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3.ClH/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;1H.
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride?
2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride has a molecular weight of 281.76 g/mol, XLogP of 3.25, 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;hydrochloride is sourced from PubChem (CID 175103280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).