3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol

C23H28N2O2 — CID 70044177

IUPAC3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
SMILESOc1cccc(C2CCCN(CCCCc3c[nH]c4ccc(O)cc34)C2)c1
InChIInChI=1S/C23H28N2O2/c26-20-8-3-6-17(13-20)19-7-4-12-25(16-19)11-2-1-5-18-15-24-23-10-9-21(27)14-22(18)23/h3,6,8-10,13-15,19,24,26-27H,1-2,4-5,7,11-12,16H2
InChIKeyOGLPBXFTLIDYBY-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.78
Rot. Bonds6

About 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol

3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol (PubChem CID 70044177) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
PubChem CID70044177
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
SMILESOc1cccc(C2CCCN(CCCCc3c[nH]c4ccc(O)cc34)C2)c1
InChIInChI=1S/C23H28N2O2/c26-20-8-3-6-17(13-20)19-7-4-12-25(16-19)11-2-1-5-18-15-24-23-10-9-21(27)14-22(18)23/h3,6,8-10,13-15,19,24,26-27H,1-2,4-5,7,11-12,16H2
InChIKeyOGLPBXFTLIDYBY-UHFFFAOYSA-N
XLogP4.78
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-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

3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid
CID 19786713
3-[4-[3-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19786740
3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
CID 70046463
3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
7-bromo-3-[4-(3-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70046544
3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
CID 70044838
3-[4-[(3S)-3-benzylpiperidin-1-yl]butyl]-5-fluoro-1H-indole
CID 10133399
3-[4-(3-benzylpiperidin-1-yl)butyl]-5-methyl-1H-indole
CID 70065387
3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
CID 21469424
3-[4-(3-benzylpiperidin-1-yl)butyl]-5-chloro-1H-indole
CID 18330282
[3-[4-(3-benzylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70064532
[3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412080

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol?
The IUPAC name of 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol (CID 70044177) is 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol?
The canonical SMILES for 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol is Oc1cccc(C2CCCN(CCCCc3c[nH]c4ccc(O)cc34)C2)c1.
What is the InChIKey of 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol?
The InChIKey is OGLPBXFTLIDYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-20-8-3-6-17(13-20)19-7-4-12-25(16-19)11-2-1-5-18-15-24-23-10-9-21(27)14-22(18)23/h3,6,8-10,13-15,19,24,26-27H,1-2,4-5,7,11-12,16H2.
What are the key properties of 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol?
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol has a molecular weight of 364.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol is sourced from PubChem (CID 70044177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).