1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol

C26H25N3O — CID 135421194

IUPAC1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C26H25N3O/c30-26-13-12-21-7-2-4-11-24(21)25(26)18-27-29-16-14-28(15-17-29)19-22-9-5-8-20-6-1-3-10-23(20)22/h1-13,18,30H,14-17,19H2/b27-18+
InChIKeyXIWMCDOIIPVLJD-OVVQPSECSA-N
MW395.51 g/mol
LogP4.85
Rot. Bonds4

About 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol

1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol (PubChem CID 135421194) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol
PubChem CID135421194
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C26H25N3O/c30-26-13-12-21-7-2-4-11-24(21)25(26)18-27-29-16-14-28(15-17-29)19-22-9-5-8-20-6-1-3-10-23(20)22/h1-13,18,30H,14-17,19H2/b27-18+
InChIKeyXIWMCDOIIPVLJD-OVVQPSECSA-N
XLogP4.85
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-Piperidinylmethyl)-2-naphthalenol
CID 21436
2-Naphthalenol, 1-[[(phenylmethyl)imino]methyl]-
CID 511504
1-Naphthalenecarboxaldehyde, 2-hydroxy-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazone
CID 135444602
1-{[Benzyl(methyl)amino]methyl}-2-naphthol
CID 577695
1-{[4-(3-Phenyl-2-propen-1-yl)-1-piperazinyl]methyl}-2-naphthol
CID 2213235
1-[2-(4-Fluorophenyl)-2-(4-isopropylpiperazino)ethyl]-4-[4-(2-hydroxynaphthalen-1-yl)butyl]piperazine
CID 22318631
1-((Benzylidene-amino)-phenyl-methyl)-naphthalen-2-OL
CID 277398
Alpha,alpha'-(ethylenedinitrilo)-bis-(1-methyl-2-naphthol)
CID 482314
1-((((2-Hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol
CID 241061
1-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}-2-naphthol
CID 16189506
5-(3-Naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol
CID 122184332
1-[(4-Methylpiperidin-1-yl)methyl]naphthalen-2-ol
CID 755868

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol (CID 135421194) is 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol?
The InChIKey is XIWMCDOIIPVLJD-OVVQPSECSA-N. The full InChI is InChI=1S/C26H25N3O/c30-26-13-12-21-7-2-4-11-24(21)25(26)18-27-29-16-14-28(15-17-29)19-22-9-5-8-20-6-1-3-10-23(20)22/h1-13,18,30H,14-17,19H2/b27-18+.
What are the key properties of 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol?
1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol has a molecular weight of 395.51 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135421194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).