4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine

C18H29N3O2 — CID 84754118

IUPAC4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine
SMILESCOc1cc(CN2CC(C)OC(C)C2)ccc1N1CCNCC1
InChIInChI=1S/C18H29N3O2/c1-14-11-20(12-15(2)23-14)13-16-4-5-17(18(10-16)22-3)21-8-6-19-7-9-21/h4-5,10,14-15,19H,6-9,11-13H2,1-3H3
InChIKeyFQBKCJIJEFTMTE-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.71
Rot. Bonds4

About 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine

4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine (PubChem CID 84754118) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine
PubChem CID84754118
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine
SMILESCOc1cc(CN2CC(C)OC(C)C2)ccc1N1CCNCC1
InChIInChI=1S/C18H29N3O2/c1-14-11-20(12-15(2)23-14)13-16-4-5-17(18(10-16)22-3)21-8-6-19-7-9-21/h4-5,10,14-15,19H,6-9,11-13H2,1-3H3
InChIKeyFQBKCJIJEFTMTE-UHFFFAOYSA-N
XLogP1.71
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine (CID 84754118) is 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine is COc1cc(CN2CC(C)OC(C)C2)ccc1N1CCNCC1.
What is the InChIKey of 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is FQBKCJIJEFTMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-11-20(12-15(2)23-14)13-16-4-5-17(18(10-16)22-3)21-8-6-19-7-9-21/h4-5,10,14-15,19H,6-9,11-13H2,1-3H3.
What are the key properties of 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine?
4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine has a molecular weight of 319.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 84754118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).