1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide

C20H24BrN3 — CID 14032592

IUPAC1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide
SMILESBr.CN1CCC(c2nn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H23N3.BrH/c1-22-13-11-17(12-14-22)20-18-9-5-6-10-19(18)23(21-20)15-16-7-3-2-4-8-16;/h2-10,17H,11-15H2,1H3;1H
InChIKeyBVDFUKRHFJAJBV-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.47
Rot. Bonds3

About 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide

1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide (PubChem CID 14032592) has the molecular formula C20H24BrN3 and a molecular weight of 386.34 g/mol. Its IUPAC name is 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide.

Molecular Properties

Compound Name1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide
PubChem CID14032592
Molecular FormulaC20H24BrN3
Molecular Weight386.34 g/mol
Exact Mass385.12
IUPAC Name1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide
SMILESBr.CN1CCC(c2nn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H23N3.BrH/c1-22-13-11-17(12-14-22)20-18-9-5-6-10-19(18)23(21-20)15-16-7-3-2-4-8-16;/h2-10,17H,11-15H2,1H3;1H
InChIKeyBVDFUKRHFJAJBV-UHFFFAOYSA-N
XLogP4.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide?
The IUPAC name of 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide (CID 14032592) is 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide.
What is the SMILES notation for 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide?
The canonical SMILES for 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide is Br.CN1CCC(c2nn(Cc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide?
The InChIKey is BVDFUKRHFJAJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3.BrH/c1-22-13-11-17(12-14-22)20-18-9-5-6-10-19(18)23(21-20)15-16-7-3-2-4-8-16;/h2-10,17H,11-15H2,1H3;1H.
What are the key properties of 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide?
1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide has a molecular weight of 386.34 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide is sourced from PubChem (CID 14032592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).