3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine

C13H22FN3 — CID 103023172

IUPAC3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine
SMILESCn1cc(CCC(C)(F)C2CCCNC2)cn1
InChIInChI=1S/C13H22FN3/c1-13(14,12-4-3-7-15-9-12)6-5-11-8-16-17(2)10-11/h8,10,12,15H,3-7,9H2,1-2H3
InChIKeyOCNJPKJUSGDREL-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.08
Rot. Bonds4

About 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine

3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine (PubChem CID 103023172) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine.

Molecular Properties

Compound Name3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine
PubChem CID103023172
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine
SMILESCn1cc(CCC(C)(F)C2CCCNC2)cn1
InChIInChI=1S/C13H22FN3/c1-13(14,12-4-3-7-15-9-12)6-5-11-8-16-17(2)10-11/h8,10,12,15H,3-7,9H2,1-2H3
InChIKeyOCNJPKJUSGDREL-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
rac-((1R,2R)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropyl)methanamine dihydrochloride
CID 129841821
4-[(4-methyl-1H-pyrazol-1-yl)methyl]piperidine
CID 46318291
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 54593929
3-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 62405677
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62505178
{[1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl}(methyl)amine
CID 64067740
1-methyl-4-[(pyrrolidin-2-yl)methyl]-1H-pyrazole
CID 64089898
4-(1-methyl-1H-pyrazol-4-yl)piperidine hydrochloride
CID 91647506

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine?
The IUPAC name of 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine (CID 103023172) is 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine.
What is the SMILES notation for 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine?
The canonical SMILES for 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine is Cn1cc(CCC(C)(F)C2CCCNC2)cn1.
What is the InChIKey of 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine?
The InChIKey is OCNJPKJUSGDREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-13(14,12-4-3-7-15-9-12)6-5-11-8-16-17(2)10-11/h8,10,12,15H,3-7,9H2,1-2H3.
What are the key properties of 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine?
3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine has a molecular weight of 239.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]piperidine is sourced from PubChem (CID 103023172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).