4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol

C29H34N2O2 — CID 138493121

IUPAC4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol
SMILESCN1CCN(Cc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C29H34N2O2/c1-30-17-19-31(20-18-30)22-23-9-11-25(12-10-23)29(26-13-15-27(33)16-14-26)28(8-5-21-32)24-6-3-2-4-7-24/h2-4,6-7,9-16,32-33H,5,8,17-22H2,1H3/b29-28+
InChIKeyVZZURHKZUBENSK-ZQHSETAFSA-N
MW442.60 g/mol
LogP4.87
Rot. Bonds8

About 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol

4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol (PubChem CID 138493121) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol
PubChem CID138493121
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol
SMILESCN1CCN(Cc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C29H34N2O2/c1-30-17-19-31(20-18-30)22-23-9-11-25(12-10-23)29(26-13-15-27(33)16-14-26)28(8-5-21-32)24-6-3-2-4-7-24/h2-4,6-7,9-16,32-33H,5,8,17-22H2,1H3/b29-28+
InChIKeyVZZURHKZUBENSK-ZQHSETAFSA-N
XLogP4.87
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162670575
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-5-yl]pent-1-enyl]phenol;dihydrochloride
CID 162669763
3-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
CID 163533301
4-[(E)-1-[4-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493086
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
4-[(Z)-1-[4-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162651623
4-[(E)-1-[4-(azetidin-3-yl)phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol;butane;ethane
CID 145430219
1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 145147201
1-benzyl-4-methylpiperazine;formic acid
CID 54605116

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol?
The IUPAC name of 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol (CID 138493121) is 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol?
The canonical SMILES for 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol is CN1CCN(Cc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.
What is the InChIKey of 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol?
The InChIKey is VZZURHKZUBENSK-ZQHSETAFSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-30-17-19-31(20-18-30)22-23-9-11-25(12-10-23)29(26-13-15-27(33)16-14-26)28(8-5-21-32)24-6-3-2-4-7-24/h2-4,6-7,9-16,32-33H,5,8,17-22H2,1H3/b29-28+.
What are the key properties of 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol?
4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol has a molecular weight of 442.60 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol is sourced from PubChem (CID 138493121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).