4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol

C32H36N2O2 — CID 138493164

IUPAC4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C32H36N2O2/c35-23-7-10-30(25-8-3-1-4-9-25)32(26-11-14-29(36)15-12-26)28-13-16-31-27(24-28)17-20-34(31)22-21-33-18-5-2-6-19-33/h1,3-4,8-9,11-17,20,24,35-36H,2,5-7,10,18-19,21-23H2/b32-30-
InChIKeyDPRIBBXEXORJMV-GCUVURNUSA-N
MW480.65 g/mol
LogP6.56
Rot. Bonds9

About 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol

4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol (PubChem CID 138493164) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol
PubChem CID138493164
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C32H36N2O2/c35-23-7-10-30(25-8-3-1-4-9-25)32(26-11-14-29(36)15-12-26)28-13-16-31-27(24-28)17-20-34(31)22-21-33-18-5-2-6-19-33/h1,3-4,8-9,11-17,20,24,35-36H,2,5-7,10,18-19,21-23H2/b32-30-
InChIKeyDPRIBBXEXORJMV-GCUVURNUSA-N
XLogP6.56
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol 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 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol (CID 138493164) is 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol is OCCC/C(=C(\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1.
What is the InChIKey of 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol?
The InChIKey is DPRIBBXEXORJMV-GCUVURNUSA-N. The full InChI is InChI=1S/C32H36N2O2/c35-23-7-10-30(25-8-3-1-4-9-25)32(26-11-14-29(36)15-12-26)28-13-16-31-27(24-28)17-20-34(31)22-21-33-18-5-2-6-19-33/h1,3-4,8-9,11-17,20,24,35-36H,2,5-7,10,18-19,21-23H2/b32-30-.
What are the key properties of 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol?
4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol has a molecular weight of 480.65 g/mol, XLogP of 6.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol is sourced from PubChem (CID 138493164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).