4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol

C28H38N2O2 — CID 46240602

IUPAC4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
SMILESC/C(=C(/C)c1ccc(O)c(CN2CCCCC2)c1)c1ccc(O)c(CN2CCCCC2)c1
InChIInChI=1S/C28H38N2O2/c1-21(23-9-11-27(31)25(17-23)19-29-13-5-3-6-14-29)22(2)24-10-12-28(32)26(18-24)20-30-15-7-4-8-16-30/h9-12,17-18,31-32H,3-8,13-16,19-20H2,1-2H3/b22-21+
InChIKeyJPQXEPFQNARVLU-QURGRASLSA-N
MW434.62 g/mol
LogP6.02
Rot. Bonds6

About 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol

4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol (PubChem CID 46240602) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
PubChem CID46240602
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
SMILESC/C(=C(/C)c1ccc(O)c(CN2CCCCC2)c1)c1ccc(O)c(CN2CCCCC2)c1
InChIInChI=1S/C28H38N2O2/c1-21(23-9-11-27(31)25(17-23)19-29-13-5-3-6-14-29)22(2)24-10-12-28(32)26(18-24)20-30-15-7-4-8-16-30/h9-12,17-18,31-32H,3-8,13-16,19-20H2,1-2H3/b22-21+
InChIKeyJPQXEPFQNARVLU-QURGRASLSA-N
XLogP6.02
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)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-[(Z)-3-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(pyrrolidin-1-ylmethyl)phenol
CID 46241970
4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
CID 46240407
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 15576412
N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 12883574
1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone
CID 63158386
4-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]-2-(piperidin-1-ylmethyl)phenol
CID 135588191
4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
5-[4-[3-hydroxy-4-(pyrrolidin-1-ylmethyl)phenyl]hex-3-en-3-yl]-2-(pyrrolidin-1-ylmethyl)phenol
CID 67425831
4,5-dibromo-2-(piperidin-1-ylmethyl)phenol
CID 175396121
4-bromo-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135839877

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol (CID 46240602) is 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol is C/C(=C(/C)c1ccc(O)c(CN2CCCCC2)c1)c1ccc(O)c(CN2CCCCC2)c1.
What is the InChIKey of 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol?
The InChIKey is JPQXEPFQNARVLU-QURGRASLSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-21(23-9-11-27(31)25(17-23)19-29-13-5-3-6-14-29)22(2)24-10-12-28(32)26(18-24)20-30-15-7-4-8-16-30/h9-12,17-18,31-32H,3-8,13-16,19-20H2,1-2H3/b22-21+.
What are the key properties of 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol?
4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol has a molecular weight of 434.62 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 46240602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).