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

C13H22FN3 — CID 112565371

IUPAC3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
SMILESCC(C)n1ccc(CC(F)C2CCCNC2)n1
InChIInChI=1S/C13H22FN3/c1-10(2)17-7-5-12(16-17)8-13(14)11-4-3-6-15-9-11/h5,7,10-11,13,15H,3-4,6,8-9H2,1-2H3
InChIKeyQAJFBDPCWMVQDD-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.34
Rot. Bonds4

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

3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine (PubChem CID 112565371) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
PubChem CID112565371
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
SMILESCC(C)n1ccc(CC(F)C2CCCNC2)n1
InChIInChI=1S/C13H22FN3/c1-10(2)17-7-5-12(16-17)8-13(14)11-4-3-6-15-9-11/h5,7,10-11,13,15H,3-4,6,8-9H2,1-2H3
InChIKeyQAJFBDPCWMVQDD-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
CID 106640361
2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 106634943
3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565387
3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565553
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine
CID 112565416
N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64772048
3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
CID 112565336
3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine
CID 103132870
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
CID 106640582
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553

Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine (CID 112565371) is 3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine is CC(C)n1ccc(CC(F)C2CCCNC2)n1.
What is the InChIKey of 3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine?
The InChIKey is QAJFBDPCWMVQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-10(2)17-7-5-12(16-17)8-13(14)11-4-3-6-15-9-11/h5,7,10-11,13,15H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine?
3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine has a molecular weight of 239.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 112565371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).