4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine

C21H25N5O — CID 118708571

IUPAC4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine
SMILESc1ccc(-c2ccc(-n3nnnc3CCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N5O/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)26-21(22-23-24-26)8-4-5-13-25-14-16-27-17-15-25/h1-3,6-7,9-12H,4-5,8,13-17H2
InChIKeyWYEZMVWJEMLJLM-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.98
Rot. Bonds7

About 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine

4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine (PubChem CID 118708571) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine
PubChem CID118708571
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine
SMILESc1ccc(-c2ccc(-n3nnnc3CCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N5O/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)26-21(22-23-24-26)8-4-5-13-25-14-16-27-17-15-25/h1-3,6-7,9-12H,4-5,8,13-17H2
InChIKeyWYEZMVWJEMLJLM-UHFFFAOYSA-N
XLogP2.98
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)phenyl)morpholine
CID 44159519
4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-pyrrolidin-1-yl-phenyl)-methyl]-morpholine
CID 648818
4-Benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
1-[2-(1-[1,1'-biphenyl]-4-yl-1H-1,2,3,4-tetraazol-5-yl)vinyl]azepane
CID 5716499
4-(1-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}cyclohexyl)morpholine
CID 3104507
2,3,3-Trimethyl-1-(1-phenyltetrazol-5-yl)-1,4-dihydroisoquinoline
CID 4039456
(4-{(4-Benzyl-piperazin-1-yl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 648702
1-(1-p-Tolyl-1H-tetrazol-5-ylmethyl)-piperidine
CID 3131950
1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-phenyl-piperazine
CID 9549391
1-[(1-Butyltetrazol-5-yl)-phenylmethyl]-4-(4-methylphenyl)piperazine
CID 53300966

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine?
The IUPAC name of 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine (CID 118708571) is 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine.
What is the SMILES notation for 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine?
The canonical SMILES for 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine is c1ccc(-c2ccc(-n3nnnc3CCCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine?
The InChIKey is WYEZMVWJEMLJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)26-21(22-23-24-26)8-4-5-13-25-14-16-27-17-15-25/h1-3,6-7,9-12H,4-5,8,13-17H2.
What are the key properties of 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine?
4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine has a molecular weight of 363.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-phenylphenyl)tetrazol-5-yl]butyl]morpholine is sourced from PubChem (CID 118708571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).