2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole

C18H21N3 — CID 141135598

IUPAC2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole
SMILESc1ccc(C2CCN(N3Cc4ccccc4N3)CC2)cc1
InChIInChI=1S/C18H21N3/c1-2-6-15(7-3-1)16-10-12-20(13-11-16)21-14-17-8-4-5-9-18(17)19-21/h1-9,16,19H,10-14H2
InChIKeyIYYNFPGWWOBZMP-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.62
Rot. Bonds2

About 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole

2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole (PubChem CID 141135598) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole
PubChem CID141135598
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole
SMILESc1ccc(C2CCN(N3Cc4ccccc4N3)CC2)cc1
InChIInChI=1S/C18H21N3/c1-2-6-15(7-3-1)16-10-12-20(13-11-16)21-14-17-8-4-5-9-18(17)19-21/h1-9,16,19H,10-14H2
InChIKeyIYYNFPGWWOBZMP-UHFFFAOYSA-N
XLogP3.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole (CID 141135598) is 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole is c1ccc(C2CCN(N3Cc4ccccc4N3)CC2)cc1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole?
The InChIKey is IYYNFPGWWOBZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-6-15(7-3-1)16-10-12-20(13-11-16)21-14-17-8-4-5-9-18(17)19-21/h1-9,16,19H,10-14H2.
What are the key properties of 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole?
2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole has a molecular weight of 279.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)-1,3-dihydroindazole is sourced from PubChem (CID 141135598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).