3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol

C21H24N2OS — CID 19848882

IUPAC3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol
SMILESOc1ccc2c(CCCCC3CC(c4cccs4)=CCN3)c[nH]c2c1
InChIInChI=1S/C21H24N2OS/c24-18-7-8-19-16(14-23-20(19)13-18)4-1-2-5-17-12-15(9-10-22-17)21-6-3-11-25-21/h3,6-9,11,13-14,17,22-24H,1-2,4-5,10,12H2
InChIKeyJAMKUJVJAGYXDQ-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.09
Rot. Bonds6

About 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol

3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol (PubChem CID 19848882) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol.

Molecular Properties

Compound Name3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol
PubChem CID19848882
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol
SMILESOc1ccc2c(CCCCC3CC(c4cccs4)=CCN3)c[nH]c2c1
InChIInChI=1S/C21H24N2OS/c24-18-7-8-19-16(14-23-20(19)13-18)4-1-2-5-17-12-15(9-10-22-17)21-6-3-11-25-21/h3,6-9,11,13-14,17,22-24H,1-2,4-5,10,12H2
InChIKeyJAMKUJVJAGYXDQ-UHFFFAOYSA-N
XLogP5.09
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol 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

5,6-dichloro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
CID 19848911
7-bromo-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
CID 19848943
3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole
CID 19848959
7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
CID 54353975
ethyl [5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-yl] carbonate
CID 70412498
5-methoxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylic acid;hydrochloride
CID 67883034
[3-[5-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)pentyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412488
ethyl [5-methoxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-yl] carbonate
CID 70412162
2-(6-thiophen-2-yl-1H-indol-3-yl)ethanamine
CID 82293447
3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide
CID 19786689
4-(5,6-dimethyl-1H-indol-3-yl)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 13327020
3-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol
CID 70044138

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol?
The IUPAC name of 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol (CID 19848882) is 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol.
What is the SMILES notation for 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol?
The canonical SMILES for 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol is Oc1ccc2c(CCCCC3CC(c4cccs4)=CCN3)c[nH]c2c1.
What is the InChIKey of 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol?
The InChIKey is JAMKUJVJAGYXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c24-18-7-8-19-16(14-23-20(19)13-18)4-1-2-5-17-12-15(9-10-22-17)21-6-3-11-25-21/h3,6-9,11,13-14,17,22-24H,1-2,4-5,10,12H2.
What are the key properties of 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol?
3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol has a molecular weight of 352.50 g/mol, XLogP of 5.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol is sourced from PubChem (CID 19848882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).