3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol

C23H26N2O — CID 10315634

IUPAC3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol
SMILESOc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C23H26N2O/c26-21-9-10-22-20(17-24-23(22)16-21)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
InChIKeyKELIDAHPKTUDBD-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.99
Rot. Bonds6

About 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol

3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol (PubChem CID 10315634) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol.

Molecular Properties

Compound Name3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol
PubChem CID10315634
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol
SMILESOc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C23H26N2O/c26-21-9-10-22-20(17-24-23(22)16-21)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
InChIKeyKELIDAHPKTUDBD-UHFFFAOYSA-N
XLogP4.99
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol?
The IUPAC name of 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol (CID 10315634) is 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol.
What is the SMILES notation for 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol?
The canonical SMILES for 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol is Oc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1.
What is the InChIKey of 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol?
The InChIKey is KELIDAHPKTUDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c26-21-9-10-22-20(17-24-23(22)16-21)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2.
What are the key properties of 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol?
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol has a molecular weight of 346.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol is sourced from PubChem (CID 10315634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).