2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride

C20H23ClN2 — CID 171337557

IUPAC2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride
SMILESCc1ccccc1-c1[nH]c2ccccc2c1C1CCNCC1.Cl
InChIInChI=1S/C20H22N2.ClH/c1-14-6-2-3-7-16(14)20-19(15-10-12-21-13-11-15)17-8-4-5-9-18(17)22-20;/h2-9,15,21-22H,10-13H2,1H3;1H
InChIKeyWKFJGVGUZJJDQR-UHFFFAOYSA-N
MW326.87 g/mol
LogP5.03
Rot. Bonds2

About 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride

2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride (PubChem CID 171337557) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride
PubChem CID171337557
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride
SMILESCc1ccccc1-c1[nH]c2ccccc2c1C1CCNCC1.Cl
InChIInChI=1S/C20H22N2.ClH/c1-14-6-2-3-7-16(14)20-19(15-10-12-21-13-11-15)17-8-4-5-9-18(17)22-20;/h2-9,15,21-22H,10-13H2,1H3;1H
InChIKeyWKFJGVGUZJJDQR-UHFFFAOYSA-N
XLogP5.03
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.87
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
1-piperidin-4-yl-9H-carbazole
CID 151051722
4-(2-methylphenyl)-2-piperidin-4-ylquinazoline
CID 11289673
1-(2-methylphenyl)-3-piperidin-4-ylisoquinoline
CID 13319923
3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
CID 11630194
[2-(2-methylphenyl)-1H-indol-3-yl]methanamine
CID 22689271
2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 67601122
4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole
CID 143311779
4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084434
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517
ethane;3-piperidin-4-yl-1H-indole
CID 91036207

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride (CID 171337557) is 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride is Cc1ccccc1-c1[nH]c2ccccc2c1C1CCNCC1.Cl.
What is the InChIKey of 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride?
The InChIKey is WKFJGVGUZJJDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2.ClH/c1-14-6-2-3-7-16(14)20-19(15-10-12-21-13-11-15)17-8-4-5-9-18(17)22-20;/h2-9,15,21-22H,10-13H2,1H3;1H.
What are the key properties of 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride?
2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride is sourced from PubChem (CID 171337557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).