4-fluoro-4-(1-methylpyrazol-3-yl)piperidine

C9H14FN3 — CID 83817237

IUPAC4-fluoro-4-(1-methylpyrazol-3-yl)piperidine
SMILESCn1ccc(C2(F)CCNCC2)n1
InChIInChI=1S/C9H14FN3/c1-13-7-2-8(12-13)9(10)3-5-11-6-4-9/h2,7,11H,3-6H2,1H3
InChIKeyUAXBANVQMBSYQV-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.97
Rot. Bonds1

About 4-fluoro-4-(1-methylpyrazol-3-yl)piperidine

4-fluoro-4-(1-methylpyrazol-3-yl)piperidine (PubChem CID 83817237) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-fluoro-4-(1-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(1-methylpyrazol-3-yl)piperidine
PubChem CID83817237
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name4-fluoro-4-(1-methylpyrazol-3-yl)piperidine
SMILESCn1ccc(C2(F)CCNCC2)n1
InChIInChI=1S/C9H14FN3/c1-13-7-2-8(12-13)9(10)3-5-11-6-4-9/h2,7,11H,3-6H2,1H3
InChIKeyUAXBANVQMBSYQV-UHFFFAOYSA-N
XLogP0.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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-(1-methylpyrazol-3-yl)piperidine?
The IUPAC name of 4-fluoro-4-(1-methylpyrazol-3-yl)piperidine (CID 83817237) is 4-fluoro-4-(1-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-(1-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 4-fluoro-4-(1-methylpyrazol-3-yl)piperidine is Cn1ccc(C2(F)CCNCC2)n1.
What is the InChIKey of 4-fluoro-4-(1-methylpyrazol-3-yl)piperidine?
The InChIKey is UAXBANVQMBSYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-13-7-2-8(12-13)9(10)3-5-11-6-4-9/h2,7,11H,3-6H2,1H3.
What are the key properties of 4-fluoro-4-(1-methylpyrazol-3-yl)piperidine?
4-fluoro-4-(1-methylpyrazol-3-yl)piperidine has a molecular weight of 183.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 83817237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).