4-[4-(4-azidobut-1-enyl)phenyl]morpholine

C14H18N4O — CID 170486075

IUPAC4-[4-(4-azidobut-1-enyl)phenyl]morpholine
SMILES[N-]=[N+]=NCCC=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N4O/c15-17-16-8-2-1-3-13-4-6-14(7-5-13)18-9-11-19-12-10-18/h1,3-7H,2,8-12H2
InChIKeySZEAKQPFLGIIDF-UHFFFAOYSA-N
MW258.33 g/mol
LogP3.24
Rot. Bonds5

About 4-[4-(4-azidobut-1-enyl)phenyl]morpholine

4-[4-(4-azidobut-1-enyl)phenyl]morpholine (PubChem CID 170486075) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-[4-(4-azidobut-1-enyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-azidobut-1-enyl)phenyl]morpholine
PubChem CID170486075
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name4-[4-(4-azidobut-1-enyl)phenyl]morpholine
SMILES[N-]=[N+]=NCCC=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N4O/c15-17-16-8-2-1-3-13-4-6-14(7-5-13)18-9-11-19-12-10-18/h1,3-7H,2,8-12H2
InChIKeySZEAKQPFLGIIDF-UHFFFAOYSA-N
XLogP3.24
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-azidoprop-1-enyl)phenyl]morpholine
CID 169462503
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
4-[4-(3-bromoprop-1-enyl)phenyl]morpholine
CID 169476236
N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine
CID 145189101
1-[4-(3-azidoprop-1-enyl)phenyl]piperazine
CID 169462483
1-[4-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485177
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
13-[4-[(E)-2-[4,6-bis[(E)-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 132506106
3-(3-morpholin-4-ylphenyl)prop-2-ene-1-thiol
CID 169455965
1-(4-but-1-enylphenyl)aziridine
CID 154114150
4-(4-azidobut-1-enyl)-2-bromophenol
CID 170486320
(E)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1-(4-piperidin-1-ylphenyl)methanimine
CID 172986311

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-azidobut-1-enyl)phenyl]morpholine?
The IUPAC name of 4-[4-(4-azidobut-1-enyl)phenyl]morpholine (CID 170486075) is 4-[4-(4-azidobut-1-enyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(4-azidobut-1-enyl)phenyl]morpholine?
The canonical SMILES for 4-[4-(4-azidobut-1-enyl)phenyl]morpholine is [N-]=[N+]=NCCC=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(4-azidobut-1-enyl)phenyl]morpholine?
The InChIKey is SZEAKQPFLGIIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-17-16-8-2-1-3-13-4-6-14(7-5-13)18-9-11-19-12-10-18/h1,3-7H,2,8-12H2.
What are the key properties of 4-[4-(4-azidobut-1-enyl)phenyl]morpholine?
4-[4-(4-azidobut-1-enyl)phenyl]morpholine has a molecular weight of 258.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-azidobut-1-enyl)phenyl]morpholine is sourced from PubChem (CID 170486075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).