4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine

C12H20FN3O — CID 114277867

IUPAC4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine
SMILESCOCCn1nccc1C(F)C1CCNCC1
InChIInChI=1S/C12H20FN3O/c1-17-9-8-16-11(4-7-15-16)12(13)10-2-5-14-6-3-10/h4,7,10,12,14H,2-3,5-6,8-9H2,1H3
InChIKeyGRPIJFZPXQFHCM-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.54
Rot. Bonds5

About 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine

4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine (PubChem CID 114277867) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine
PubChem CID114277867
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine
SMILESCOCCn1nccc1C(F)C1CCNCC1
InChIInChI=1S/C12H20FN3O/c1-17-9-8-16-11(4-7-15-16)12(13)10-2-5-14-6-3-10/h4,7,10,12,14H,2-3,5-6,8-9H2,1H3
InChIKeyGRPIJFZPXQFHCM-UHFFFAOYSA-N
XLogP1.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine?
The IUPAC name of 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine (CID 114277867) is 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine.
What is the SMILES notation for 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine?
The canonical SMILES for 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine is COCCn1nccc1C(F)C1CCNCC1.
What is the InChIKey of 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine?
The InChIKey is GRPIJFZPXQFHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-17-9-8-16-11(4-7-15-16)12(13)10-2-5-14-6-3-10/h4,7,10,12,14H,2-3,5-6,8-9H2,1H3.
What are the key properties of 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine?
4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine has a molecular weight of 241.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]piperidine is sourced from PubChem (CID 114277867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).