2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine

C14H23BrFN3 — CID 106634906

IUPAC2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
SMILESCCc1nn(CC)c(CC(F)C2CCCCN2)c1Br
InChIInChI=1S/C14H23BrFN3/c1-3-11-14(15)13(19(4-2)18-11)9-10(16)12-7-5-6-8-17-12/h10,12,17H,3-9H2,1-2H3
InChIKeyZBXHUYKOBFIVEL-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.25
Rot. Bonds5

About 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine

2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine (PubChem CID 106634906) has the molecular formula C14H23BrFN3 and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
PubChem CID106634906
Molecular FormulaC14H23BrFN3
Molecular Weight332.26 g/mol
Exact Mass331.11
IUPAC Name2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
SMILESCCc1nn(CC)c(CC(F)C2CCCCN2)c1Br
InChIInChI=1S/C14H23BrFN3/c1-3-11-14(15)13(19(4-2)18-11)9-10(16)12-7-5-6-8-17-12/h10,12,17H,3-9H2,1-2H3
InChIKeyZBXHUYKOBFIVEL-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine (CID 106634906) is 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine is CCc1nn(CC)c(CC(F)C2CCCCN2)c1Br.
What is the InChIKey of 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The InChIKey is ZBXHUYKOBFIVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrFN3/c1-3-11-14(15)13(19(4-2)18-11)9-10(16)12-7-5-6-8-17-12/h10,12,17H,3-9H2,1-2H3.
What are the key properties of 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine?
2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine has a molecular weight of 332.26 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 106634906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).