4-(4-azidophenyl)-2,6-dimethylmorpholine

C12H16N4O — CID 150027576

IUPAC4-(4-azidophenyl)-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc(N=[N+]=[N-])cc2)CC(C)O1
InChIInChI=1S/C12H16N4O/c1-9-7-16(8-10(2)17-9)12-5-3-11(4-6-12)14-15-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDGOIIMZJJFNEJP-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.24
Rot. Bonds2

About 4-(4-azidophenyl)-2,6-dimethylmorpholine

4-(4-azidophenyl)-2,6-dimethylmorpholine (PubChem CID 150027576) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(4-azidophenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-azidophenyl)-2,6-dimethylmorpholine
PubChem CID150027576
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-(4-azidophenyl)-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc(N=[N+]=[N-])cc2)CC(C)O1
InChIInChI=1S/C12H16N4O/c1-9-7-16(8-10(2)17-9)12-5-3-11(4-6-12)14-15-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDGOIIMZJJFNEJP-UHFFFAOYSA-N
XLogP3.24
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-azidophenyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-azidophenyl)-2,6-dimethylmorpholine (CID 150027576) is 4-(4-azidophenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-azidophenyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-azidophenyl)-2,6-dimethylmorpholine is CC1CN(c2ccc(N=[N+]=[N-])cc2)CC(C)O1.
What is the InChIKey of 4-(4-azidophenyl)-2,6-dimethylmorpholine?
The InChIKey is DGOIIMZJJFNEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-7-16(8-10(2)17-9)12-5-3-11(4-6-12)14-15-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(4-azidophenyl)-2,6-dimethylmorpholine?
4-(4-azidophenyl)-2,6-dimethylmorpholine has a molecular weight of 232.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azidophenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 150027576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).