1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol

C22H23N2O2+ — CID 135758566

IUPAC1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H22N2O2/c25-22-10-7-18-3-1-2-4-20(18)21(22)15-23-19-8-5-17(6-9-19)16-24-11-13-26-14-12-24/h1-10,15,25H,11-14,16H2/p+1/b23-15+
InChIKeyCWAWNFVXZNKGGM-HZHRSRAPSA-O
MW347.44 g/mol
LogP2.71
Rot. Bonds4

About 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol

1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 135758566) has the molecular formula C22H23N2O2+ and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol
PubChem CID135758566
Molecular FormulaC22H23N2O2+
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC Name1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H22N2O2/c25-22-10-7-18-3-1-2-4-20(18)21(22)15-23-19-8-5-17(6-9-19)16-24-11-13-26-14-12-24/h1-10,15,25H,11-14,16H2/p+1/b23-15+
InChIKeyCWAWNFVXZNKGGM-HZHRSRAPSA-O
XLogP2.71
TPSA46.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol (CID 135758566) is 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is CWAWNFVXZNKGGM-HZHRSRAPSA-O. The full InChI is InChI=1S/C22H22N2O2/c25-22-10-7-18-3-1-2-4-20(18)21(22)15-23-19-8-5-17(6-9-19)16-24-11-13-26-14-12-24/h1-10,15,25H,11-14,16H2/p+1/b23-15+.
What are the key properties of 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol?
1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 347.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135758566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).