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

C21H29N3 — CID 11573361

IUPAC1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
SMILESCn1ncc2c1CCCC2CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H29N3/c1-23-21-9-5-8-19(20(21)16-22-23)12-15-24-13-10-18(11-14-24)17-6-3-2-4-7-17/h2-4,6-7,16,18-19H,5,8-15H2,1H3
InChIKeyHISWMUBSKQMWQQ-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.11
Rot. Bonds4

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

1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole (PubChem CID 11573361) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
PubChem CID11573361
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
SMILESCn1ncc2c1CCCC2CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H29N3/c1-23-21-9-5-8-19(20(21)16-22-23)12-15-24-13-10-18(11-14-24)17-6-3-2-4-7-17/h2-4,6-7,16,18-19H,5,8-15H2,1H3
InChIKeyHISWMUBSKQMWQQ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole (CID 11573361) is 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole is Cn1ncc2c1CCCC2CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is HISWMUBSKQMWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-23-21-9-5-8-19(20(21)16-22-23)12-15-24-13-10-18(11-14-24)17-6-3-2-4-7-17/h2-4,6-7,16,18-19H,5,8-15H2,1H3.
What are the key properties of 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 323.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 11573361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).