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

C9H14ClF2N3 — CID 166561535

IUPAC4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride
SMILESCl.Cn1cc(C2CNCCC2(F)F)cn1
InChIInChI=1S/C9H13F2N3.ClH/c1-14-6-7(4-13-14)8-5-12-3-2-9(8,10)11;/h4,6,8,12H,2-3,5H2,1H3;1H
InChIKeyZENFRPFBVHLOFG-UHFFFAOYSA-N
MW237.68 g/mol
LogP1.55
Rot. Bonds1

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

4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride (PubChem CID 166561535) has the molecular formula C9H14ClF2N3 and a molecular weight of 237.68 g/mol. Its IUPAC name is 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride
PubChem CID166561535
Molecular FormulaC9H14ClF2N3
Molecular Weight237.68 g/mol
Exact Mass237.08
IUPAC Name4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride
SMILESCl.Cn1cc(C2CNCCC2(F)F)cn1
InChIInChI=1S/C9H13F2N3.ClH/c1-14-6-7(4-13-14)8-5-12-3-2-9(8,10)11;/h4,6,8,12H,2-3,5H2,1H3;1H
InChIKeyZENFRPFBVHLOFG-UHFFFAOYSA-N
XLogP1.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 51.55
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;hydrochloride?
The IUPAC name of 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride (CID 166561535) is 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride?
The canonical SMILES for 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride is Cl.Cn1cc(C2CNCCC2(F)F)cn1.
What is the InChIKey of 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride?
The InChIKey is ZENFRPFBVHLOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3.ClH/c1-14-6-7(4-13-14)8-5-12-3-2-9(8,10)11;/h4,6,8,12H,2-3,5H2,1H3;1H.
What are the key properties of 4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride?
4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride has a molecular weight of 237.68 g/mol, XLogP of 1.55, 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;hydrochloride is sourced from PubChem (CID 166561535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).