2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine

C13H22FN3 — CID 106634943

IUPAC2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
SMILESCC(C)n1ccc(CC(F)C2CCCCN2)n1
InChIInChI=1S/C13H22FN3/c1-10(2)17-8-6-11(16-17)9-12(14)13-5-3-4-7-15-13/h6,8,10,12-13,15H,3-5,7,9H2,1-2H3
InChIKeyDBZZBQCUKPOMNE-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.49
Rot. Bonds4

About 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine

2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine (PubChem CID 106634943) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
PubChem CID106634943
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
SMILESCC(C)n1ccc(CC(F)C2CCCCN2)n1
InChIInChI=1S/C13H22FN3/c1-10(2)17-8-6-11(16-17)9-12(14)13-5-3-4-7-15-13/h6,8,10,12-13,15H,3-5,7,9H2,1-2H3
InChIKeyDBZZBQCUKPOMNE-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
CID 106640361
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
CID 106640582
3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 112565371
1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
CID 130787739
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
2-[1-fluoro-2-(furan-3-yl)ethyl]piperidine
CID 106635035
2-(1-fluoro-3-methylbutyl)piperidine
CID 105435680
2-(1-fluorobutyl)piperidine
CID 105431346
(2S)-2-[(1S)-1-fluoropropyl]piperidine
CID 124563053
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65424963
2-(2-fluoro-2-pyrrolidin-2-ylethyl)quinoline
CID 106640483
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907

Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine?
The IUPAC name of 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine (CID 106634943) is 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine?
The canonical SMILES for 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine is CC(C)n1ccc(CC(F)C2CCCCN2)n1.
What is the InChIKey of 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine?
The InChIKey is DBZZBQCUKPOMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-10(2)17-8-6-11(16-17)9-12(14)13-5-3-4-7-15-13/h6,8,10,12-13,15H,3-5,7,9H2,1-2H3.
What are the key properties of 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine?
2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine has a molecular weight of 239.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 106634943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).