1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole

C26H30FN3 — CID 11711143

IUPAC1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
SMILESFc1ccc(-n2ncc3c2CCCC3CCN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30FN3/c27-23-9-11-24(12-10-23)30-26-8-4-7-22(25(26)19-28-30)15-18-29-16-13-21(14-17-29)20-5-2-1-3-6-20/h1-3,5-6,9-12,19,21-22H,4,7-8,13-18H2
InChIKeyIPQHLQPPYIUBDM-UHFFFAOYSA-N
MW403.54 g/mol
LogP5.70
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole

1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole (PubChem CID 11711143) has the molecular formula C26H30FN3 and a molecular weight of 403.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
PubChem CID11711143
Molecular FormulaC26H30FN3
Molecular Weight403.54 g/mol
Exact Mass403.24
IUPAC Name1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
SMILESFc1ccc(-n2ncc3c2CCCC3CCN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30FN3/c27-23-9-11-24(12-10-23)30-26-8-4-7-22(25(26)19-28-30)15-18-29-16-13-21(14-17-29)20-5-2-1-3-6-20/h1-3,5-6,9-12,19,21-22H,4,7-8,13-18H2
InChIKeyIPQHLQPPYIUBDM-UHFFFAOYSA-N
XLogP5.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole (CID 11711143) is 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole is Fc1ccc(-n2ncc3c2CCCC3CCN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is IPQHLQPPYIUBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3/c27-23-9-11-24(12-10-23)30-26-8-4-7-22(25(26)19-28-30)15-18-29-16-13-21(14-17-29)20-5-2-1-3-6-20/h1-3,5-6,9-12,19,21-22H,4,7-8,13-18H2.
What are the key properties of 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 403.54 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 11711143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).