4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol

C26H34N2O2 — CID 46240407

IUPAC4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
SMILESOc1ccc(/C=C\c2ccc(O)c(CN3CCCCC3)c2)cc1CN1CCCCC1
InChIInChI=1S/C26H34N2O2/c29-25-11-9-21(17-23(25)19-27-13-3-1-4-14-27)7-8-22-10-12-26(30)24(18-22)20-28-15-5-2-6-16-28/h7-12,17-18,29-30H,1-6,13-16,19-20H2/b8-7-
InChIKeyPBQQQXTXDQFXCF-FPLPWBNLSA-N
MW406.57 g/mol
LogP5.24
Rot. Bonds6

About 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol

4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol (PubChem CID 46240407) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
PubChem CID46240407
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
SMILESOc1ccc(/C=C\c2ccc(O)c(CN3CCCCC3)c2)cc1CN1CCCCC1
InChIInChI=1S/C26H34N2O2/c29-25-11-9-21(17-23(25)19-27-13-3-1-4-14-27)7-8-22-10-12-26(30)24(18-22)20-28-15-5-2-6-16-28/h7-12,17-18,29-30H,1-6,13-16,19-20H2/b8-7-
InChIKeyPBQQQXTXDQFXCF-FPLPWBNLSA-N
XLogP5.24
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.24
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'}

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Related Compounds

4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
CID 46240602
(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 122185105
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 15576412
4-[(Z)-3-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(pyrrolidin-1-ylmethyl)phenol
CID 46241970
(3E,5E)-3,5-bis[[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]piperidin-4-one
CID 127028721
4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739
(2Z,6E)-2-[(4-chlorophenyl)methylidene]-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one
CID 92858021
2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol
CID 135475870
N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 12883574
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416
4,5-dibromo-2-(piperidin-1-ylmethyl)phenol
CID 175396121
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol (CID 46240407) is 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol is Oc1ccc(/C=C\c2ccc(O)c(CN3CCCCC3)c2)cc1CN1CCCCC1.
What is the InChIKey of 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol?
The InChIKey is PBQQQXTXDQFXCF-FPLPWBNLSA-N. The full InChI is InChI=1S/C26H34N2O2/c29-25-11-9-21(17-23(25)19-27-13-3-1-4-14-27)7-8-22-10-12-26(30)24(18-22)20-28-15-5-2-6-16-28/h7-12,17-18,29-30H,1-6,13-16,19-20H2/b8-7-.
What are the key properties of 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol?
4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol has a molecular weight of 406.57 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 46240407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).