4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole

C21H29N3 — CID 11524449

IUPAC4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole
SMILESCC1CCN(CCC2CCCc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H29N3/c1-17-10-13-23(14-11-17)15-12-18-6-5-9-21-20(18)16-22-24(21)19-7-3-2-4-8-19/h2-4,7-8,16-18H,5-6,9-15H2,1H3
InChIKeyMFOPCECPCMZRHX-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.41
Rot. Bonds4

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

4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole (PubChem CID 11524449) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole
PubChem CID11524449
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole
SMILESCC1CCN(CCC2CCCc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H29N3/c1-17-10-13-23(14-11-17)15-12-18-6-5-9-21-20(18)16-22-24(21)19-7-3-2-4-8-19/h2-4,7-8,16-18H,5-6,9-15H2,1H3
InChIKeyMFOPCECPCMZRHX-UHFFFAOYSA-N
XLogP4.41
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole (CID 11524449) is 4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole is CC1CCN(CCC2CCCc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole?
The InChIKey is MFOPCECPCMZRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-17-10-13-23(14-11-17)15-12-18-6-5-9-21-20(18)16-22-24(21)19-7-3-2-4-8-19/h2-4,7-8,16-18H,5-6,9-15H2,1H3.
What are the key properties of 4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole?
4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole has a molecular weight of 323.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 11524449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).