4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium

C13H20NO3+ — CID 6942878

IUPAC4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium
SMILESCOc1cc(C[NH+]2CCOCC2)cc(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-12-7-11(8-13(9-12)16-2)10-14-3-5-17-6-4-14/h7-9H,3-6,10H2,1-2H3/p+1
InChIKeyYYLXOWZSJJBNRZ-UHFFFAOYSA-O
MW238.31 g/mol
LogP0.12
Rot. Bonds4

About 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium

4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium (PubChem CID 6942878) has the molecular formula C13H20NO3+ and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium
PubChem CID6942878
Molecular FormulaC13H20NO3+
Molecular Weight238.31 g/mol
Exact Mass238.14
IUPAC Name4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium
SMILESCOc1cc(C[NH+]2CCOCC2)cc(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-12-7-11(8-13(9-12)16-2)10-14-3-5-17-6-4-14/h7-9H,3-6,10H2,1-2H3/p+1
InChIKeyYYLXOWZSJJBNRZ-UHFFFAOYSA-O
XLogP0.12
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
1-[(3,5-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 7319029
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
CID 6942864
2-methoxy-4-(morpholin-4-ium-4-ylmethyl)-6-nitrophenolate
CID 7445048
1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 7405993
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium
CID 6938160
4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium
CID 7315778
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818085
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
1-[(3,5-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium
CID 6940677
N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
CID 83011668

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium (CID 6942878) is 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium is COc1cc(C[NH+]2CCOCC2)cc(OC)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium?
The InChIKey is YYLXOWZSJJBNRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19NO3/c1-15-12-7-11(8-13(9-12)16-2)10-14-3-5-17-6-4-14/h7-9H,3-6,10H2,1-2H3/p+1.
What are the key properties of 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium?
4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium has a molecular weight of 238.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium is sourced from PubChem (CID 6942878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).