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

C10H16FN3 — CID 103132849

IUPAC4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1ccc(C(F)C2CCNCC2)n1
InChIInChI=1S/C10H16FN3/c1-14-7-4-9(13-14)10(11)8-2-5-12-6-3-8/h4,7-8,10,12H,2-3,5-6H2,1H3
InChIKeyIFJCKUYZGWRXQC-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.43
Rot. Bonds2

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

4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 103132849) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine
PubChem CID103132849
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1ccc(C(F)C2CCNCC2)n1
InChIInChI=1S/C10H16FN3/c1-14-7-4-9(13-14)10(11)8-2-5-12-6-3-8/h4,7-8,10,12H,2-3,5-6H2,1H3
InChIKeyIFJCKUYZGWRXQC-UHFFFAOYSA-N
XLogP1.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine (CID 103132849) is 4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine is Cn1ccc(C(F)C2CCNCC2)n1.
What is the InChIKey of 4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is IFJCKUYZGWRXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-14-7-4-9(13-14)10(11)8-2-5-12-6-3-8/h4,7-8,10,12H,2-3,5-6H2,1H3.
What are the key properties of 4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine?
4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 197.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 103132849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).