4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine

C9H13F2N3 — CID 157045853

IUPAC4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CNCCC2(F)F)cn1
InChIInChI=1S/C9H13F2N3/c1-14-6-7(4-13-14)8-5-12-3-2-9(8,10)11/h4,6,8,12H,2-3,5H2,1H3
InChIKeyAOGGTXRYJAFSQA-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.13
Rot. Bonds1

About 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine

4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine (PubChem CID 157045853) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine
PubChem CID157045853
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CNCCC2(F)F)cn1
InChIInChI=1S/C9H13F2N3/c1-14-6-7(4-13-14)8-5-12-3-2-9(8,10)11/h4,6,8,12H,2-3,5H2,1H3
InChIKeyAOGGTXRYJAFSQA-UHFFFAOYSA-N
XLogP1.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine (CID 157045853) is 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine is Cn1cc(C2CNCCC2(F)F)cn1.
What is the InChIKey of 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is AOGGTXRYJAFSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-14-6-7(4-13-14)8-5-12-3-2-9(8,10)11/h4,6,8,12H,2-3,5H2,1H3.
What are the key properties of 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine?
4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 201.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 157045853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).