4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine

C14H19N5O2 — CID 653585

IUPAC4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine
SMILESCOc1ccc(Cn2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C14H19N5O2/c1-20-13-4-2-12(3-5-13)10-19-14(15-16-17-19)11-18-6-8-21-9-7-18/h2-5H,6-11H2,1H3
InChIKeyHRWFDWBTTVWXPR-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.56
Rot. Bonds5

About 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine

4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine (PubChem CID 653585) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine
PubChem CID653585
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine
SMILESCOc1ccc(Cn2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C14H19N5O2/c1-20-13-4-2-12(3-5-13)10-19-14(15-16-17-19)11-18-6-8-21-9-7-18/h2-5H,6-11H2,1H3
InChIKeyHRWFDWBTTVWXPR-UHFFFAOYSA-N
XLogP0.56
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine (CID 653585) is 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine is COc1ccc(Cn2nnnc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine?
The InChIKey is HRWFDWBTTVWXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-13-4-2-12(3-5-13)10-19-14(15-16-17-19)11-18-6-8-21-9-7-18/h2-5H,6-11H2,1H3.
What are the key properties of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine?
4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine has a molecular weight of 289.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 653585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).