4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine

C11H17F2N3 — CID 141406482

IUPAC4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine
SMILESCC(c1cnn(C)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N3/c1-9(10-7-14-15(2)8-10)16-5-3-11(12,13)4-6-16/h7-9H,3-6H2,1-2H3
InChIKeyQHCWEPZAOXVBSP-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.21
Rot. Bonds2

About 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine

4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine (PubChem CID 141406482) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine
PubChem CID141406482
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine
SMILESCC(c1cnn(C)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N3/c1-9(10-7-14-15(2)8-10)16-5-3-11(12,13)4-6-16/h7-9H,3-6H2,1-2H3
InChIKeyQHCWEPZAOXVBSP-UHFFFAOYSA-N
XLogP2.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine (CID 141406482) is 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine is CC(c1cnn(C)c1)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine?
The InChIKey is QHCWEPZAOXVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-9(10-7-14-15(2)8-10)16-5-3-11(12,13)4-6-16/h7-9H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine?
4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine has a molecular weight of 229.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 141406482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).