4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol

C19H22N2O2 — CID 136934972

IUPAC4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/N2CCC(Cc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C19H22N2O2/c22-18-7-6-17(19(23)13-18)14-20-21-10-8-16(9-11-21)12-15-4-2-1-3-5-15/h1-7,13-14,16,22-23H,8-12H2/b20-14+
InChIKeyNJYGRMCCZLUWRP-XSFVSMFZSA-N
MW310.40 g/mol
LogP3.39
Rot. Bonds4

About 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol

4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol (PubChem CID 136934972) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol
PubChem CID136934972
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/N2CCC(Cc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C19H22N2O2/c22-18-7-6-17(19(23)13-18)14-20-21-10-8-16(9-11-21)12-15-4-2-1-3-5-15/h1-7,13-14,16,22-23H,8-12H2/b20-14+
InChIKeyNJYGRMCCZLUWRP-XSFVSMFZSA-N
XLogP3.39
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-((Cyclohexylimino)methyl)benzene-1,3-diol
CID 796887
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
(4E)-2,3-dihydroxy-4-[(piperidin-1-ylamino)methylidene]cyclohexa-2,5-dien-1-one
CID 135716008
2-[(E)-piperidin-1-yliminomethyl]phenol
CID 135519984
4-[(E)-[(E)-(2,4-dihydroxyphenyl)methylenehydrazono]methyl]benzene-1,3-diol
CID 135472529
4-[(1-Benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol
CID 155556840
4-((2-(2,4-Dihydroxybenzylideneamino)ethylimino)methyl)benzene-1,3-diol
CID 300140
4-(((4-Benzyl-1-piperazinyl)imino)methyl)-1,3-benzenediol
CID 135603178
4-[(E)-[4-(2-phenylethyl)piperazin-1-yl]iminomethyl]benzene-1,3-diol
CID 136934968
4-[(E)-(4-cyclohexylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 136934969
4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 136934970
4-[(E)-(4-phenylpiperidin-1-yl)iminomethyl]benzene-1,3-diol
CID 136934971

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol (CID 136934972) is 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol is Oc1ccc(/C=N/N2CCC(Cc3ccccc3)CC2)c(O)c1.
What is the InChIKey of 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol?
The InChIKey is NJYGRMCCZLUWRP-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-7-6-17(19(23)13-18)14-20-21-10-8-16(9-11-21)12-15-4-2-1-3-5-15/h1-7,13-14,16,22-23H,8-12H2/b20-14+.
What are the key properties of 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol?
4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol has a molecular weight of 310.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(4-benzylpiperidin-1-yl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 136934972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).