4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol

C30H36N2O2 — CID 138493046

IUPAC4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(NCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C30H36N2O2/c33-23-7-10-29(24-8-3-1-4-9-24)30(26-13-17-28(34)18-14-26)25-11-15-27(16-12-25)31-19-22-32-20-5-2-6-21-32/h1,3-4,8-9,11-18,31,33-34H,2,5-7,10,19-23H2/b30-29+
InChIKeyVANBRJYBOJVIMD-QVIHXGFCSA-N
MW456.63 g/mol
LogP6.02
Rot. Bonds10

About 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol

4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol (PubChem CID 138493046) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol
PubChem CID138493046
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(NCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C30H36N2O2/c33-23-7-10-29(24-8-3-1-4-9-24)30(26-13-17-28(34)18-14-26)25-11-15-27(16-12-25)31-19-22-32-20-5-2-6-21-32/h1,3-4,8-9,11-18,31,33-34H,2,5-7,10,19-23H2/b30-29+
InChIKeyVANBRJYBOJVIMD-QVIHXGFCSA-N
XLogP6.02
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]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

Related Compounds

4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride
CID 162672342
4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-5-yl]pent-1-enyl]phenol;dihydrochloride
CID 162669763
4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493121
4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493073
4-[(E)-5-hydroxy-1-(4-morpholin-4-ylphenyl)-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162664318
4-[(E)-1-[4-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493086
4-[(E)-1-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493030
4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493021
4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162670575
4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol
CID 70046120
4-[1-[4-(1,1-dimethylazetidin-1-ium-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 176732433
4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol
CID 155544192

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol?
The IUPAC name of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol (CID 138493046) is 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol?
The canonical SMILES for 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol is OCCC/C(=C(\c1ccc(O)cc1)c1ccc(NCCN2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol?
The InChIKey is VANBRJYBOJVIMD-QVIHXGFCSA-N. The full InChI is InChI=1S/C30H36N2O2/c33-23-7-10-29(24-8-3-1-4-9-24)30(26-13-17-28(34)18-14-26)25-11-15-27(16-12-25)31-19-22-32-20-5-2-6-21-32/h1,3-4,8-9,11-18,31,33-34H,2,5-7,10,19-23H2/b30-29+.
What are the key properties of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol?
4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol has a molecular weight of 456.63 g/mol, XLogP of 6.02, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol is sourced from PubChem (CID 138493046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).