1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine

C23H26FN3O — CID 67013686

IUPAC1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine
SMILESFc1ccccc1-c1cn(CCN2CCCCC2)nc1OCc1ccccc1
InChIInChI=1S/C23H26FN3O/c24-22-12-6-5-11-20(22)21-17-27(16-15-26-13-7-2-8-14-26)25-23(21)28-18-19-9-3-1-4-10-19/h1,3-6,9-12,17H,2,7-8,13-16,18H2
InChIKeyMKHKBIVRILPVTO-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.75
Rot. Bonds7

About 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine

1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine (PubChem CID 67013686) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine
PubChem CID67013686
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine
SMILESFc1ccccc1-c1cn(CCN2CCCCC2)nc1OCc1ccccc1
InChIInChI=1S/C23H26FN3O/c24-22-12-6-5-11-20(22)21-17-27(16-15-26-13-7-2-8-14-26)25-23(21)28-18-19-9-3-1-4-10-19/h1,3-6,9-12,17H,2,7-8,13-16,18H2
InChIKeyMKHKBIVRILPVTO-UHFFFAOYSA-N
XLogP4.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine (CID 67013686) is 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine is Fc1ccccc1-c1cn(CCN2CCCCC2)nc1OCc1ccccc1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine?
The InChIKey is MKHKBIVRILPVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-22-12-6-5-11-20(22)21-17-27(16-15-26-13-7-2-8-14-26)25-23(21)28-18-19-9-3-1-4-10-19/h1,3-6,9-12,17H,2,7-8,13-16,18H2.
What are the key properties of 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine?
1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine has a molecular weight of 379.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 67013686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).