1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol

C15H18NO2+ — CID 6927732

IUPAC1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C[NH+]1CCOCC1
InChIInChI=1S/C15H17NO2/c17-15-6-5-12-3-1-2-4-13(12)14(15)11-16-7-9-18-10-8-16/h1-6,17H,7-11H2/p+1
InChIKeyVNKDDFRRCCZWOU-UHFFFAOYSA-O
MW244.31 g/mol
LogP0.96
Rot. Bonds2

About 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol

1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol (PubChem CID 6927732) has the molecular formula C15H18NO2+ and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
PubChem CID6927732
Molecular FormulaC15H18NO2+
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C[NH+]1CCOCC1
InChIInChI=1S/C15H17NO2/c17-15-6-5-12-3-1-2-4-13(12)14(15)11-16-7-9-18-10-8-16/h1-6,17H,7-11H2/p+1
InChIKeyVNKDDFRRCCZWOU-UHFFFAOYSA-O
XLogP0.96
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
CID 2480255
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]-1-morpholin-4-ylethanone
CID 8892920
4-(naphthalen-1-ylmethyl)morpholin-4-ium
CID 6942888
1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol
CID 135758566
1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]naphthalen-2-ol
CID 9330494
1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol
CID 4144611
1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 82964387
1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212
N-benzyl-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540210
[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 26026735
3-[(1S)-1-hydroxyethyl]-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-5-ol
CID 7047432
4-(morpholin-4-ium-4-ylmethyl)phenol
CID 6943124

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol?
The IUPAC name of 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol (CID 6927732) is 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol?
The canonical SMILES for 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1C[NH+]1CCOCC1.
What is the InChIKey of 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol?
The InChIKey is VNKDDFRRCCZWOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17NO2/c17-15-6-5-12-3-1-2-4-13(12)14(15)11-16-7-9-18-10-8-16/h1-6,17H,7-11H2/p+1.
What are the key properties of 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol?
1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol has a molecular weight of 244.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol is sourced from PubChem (CID 6927732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).