4-fluoro-4-(pyrazol-1-ylmethyl)piperidine

C9H14FN3 — CID 84659182

IUPAC4-fluoro-4-(pyrazol-1-ylmethyl)piperidine
SMILESFC1(Cn2cccn2)CCNCC1
InChIInChI=1S/C9H14FN3/c10-9(2-5-11-6-3-9)8-13-7-1-4-12-13/h1,4,7,11H,2-3,5-6,8H2
InChIKeyWAWYRJSIIURFRN-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.97
Rot. Bonds2

About 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine

4-fluoro-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 84659182) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID84659182
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name4-fluoro-4-(pyrazol-1-ylmethyl)piperidine
SMILESFC1(Cn2cccn2)CCNCC1
InChIInChI=1S/C9H14FN3/c10-9(2-5-11-6-3-9)8-13-7-1-4-12-13/h1,4,7,11H,2-3,5-6,8H2
InChIKeyWAWYRJSIIURFRN-UHFFFAOYSA-N
XLogP0.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine (CID 84659182) is 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine is FC1(Cn2cccn2)CCNCC1.
What is the InChIKey of 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is WAWYRJSIIURFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c10-9(2-5-11-6-3-9)8-13-7-1-4-12-13/h1,4,7,11H,2-3,5-6,8H2.
What are the key properties of 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine?
4-fluoro-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 183.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 84659182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).