1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine

C16H20FN3 — CID 75204033

IUPAC1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
SMILESFc1ccc(-c2[nH]ncc2CCN2CCCCC2)cc1
InChIInChI=1S/C16H20FN3/c17-15-6-4-13(5-7-15)16-14(12-18-19-16)8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H,18,19)
InChIKeyYUOLEJICQTVICH-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.24
Rot. Bonds4

About 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine

1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine (PubChem CID 75204033) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
PubChem CID75204033
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
SMILESFc1ccc(-c2[nH]ncc2CCN2CCCCC2)cc1
InChIInChI=1S/C16H20FN3/c17-15-6-4-13(5-7-15)16-14(12-18-19-16)8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H,18,19)
InChIKeyYUOLEJICQTVICH-UHFFFAOYSA-N
XLogP3.24
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine (CID 75204033) is 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine is Fc1ccc(-c2[nH]ncc2CCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine?
The InChIKey is YUOLEJICQTVICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c17-15-6-4-13(5-7-15)16-14(12-18-19-16)8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H,18,19).
What are the key properties of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine?
1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine has a molecular weight of 273.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine is sourced from PubChem (CID 75204033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).