3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine

C18H24FN3 — CID 45181830

IUPAC3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine
SMILESCc1cc(CN2CCCC(CCc3ccccc3F)C2)n[nH]1
InChIInChI=1S/C18H24FN3/c1-14-11-17(21-20-14)13-22-10-4-5-15(12-22)8-9-16-6-2-3-7-18(16)19/h2-3,6-7,11,15H,4-5,8-10,12-13H2,1H3,(H,20,21)
InChIKeyJRGIEGGZGXBBRI-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.70
Rot. Bonds5

About 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine

3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine (PubChem CID 45181830) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine
PubChem CID45181830
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine
SMILESCc1cc(CN2CCCC(CCc3ccccc3F)C2)n[nH]1
InChIInChI=1S/C18H24FN3/c1-14-11-17(21-20-14)13-22-10-4-5-15(12-22)8-9-16-6-2-3-7-18(16)19/h2-3,6-7,11,15H,4-5,8-10,12-13H2,1H3,(H,20,21)
InChIKeyJRGIEGGZGXBBRI-UHFFFAOYSA-N
XLogP3.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine (CID 45181830) is 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine is Cc1cc(CN2CCCC(CCc3ccccc3F)C2)n[nH]1.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The InChIKey is JRGIEGGZGXBBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c1-14-11-17(21-20-14)13-22-10-4-5-15(12-22)8-9-16-6-2-3-7-18(16)19/h2-3,6-7,11,15H,4-5,8-10,12-13H2,1H3,(H,20,21).
What are the key properties of 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine has a molecular weight of 301.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 45181830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).