3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine

C11H18FN3 — CID 162773707

IUPAC3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine
SMILESCC(C)c1cnn(C2CCNCC2F)c1
InChIInChI=1S/C11H18FN3/c1-8(2)9-5-14-15(7-9)11-3-4-13-6-10(11)12/h5,7-8,10-11,13H,3-4,6H2,1-2H3
InChIKeyZZCSCJQDOWYNMP-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.88
Rot. Bonds2

About 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine

3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine (PubChem CID 162773707) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine
PubChem CID162773707
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine
SMILESCC(C)c1cnn(C2CCNCC2F)c1
InChIInChI=1S/C11H18FN3/c1-8(2)9-5-14-15(7-9)11-3-4-13-6-10(11)12/h5,7-8,10-11,13H,3-4,6H2,1-2H3
InChIKeyZZCSCJQDOWYNMP-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine?
The IUPAC name of 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine (CID 162773707) is 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine.
What is the SMILES notation for 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine?
The canonical SMILES for 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine is CC(C)c1cnn(C2CCNCC2F)c1.
What is the InChIKey of 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine?
The InChIKey is ZZCSCJQDOWYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-8(2)9-5-14-15(7-9)11-3-4-13-6-10(11)12/h5,7-8,10-11,13H,3-4,6H2,1-2H3.
What are the key properties of 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine?
3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine has a molecular weight of 211.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine is sourced from PubChem (CID 162773707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).