4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine

C22H33N5O — CID 50812567

IUPAC4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine
SMILESCc1ccccc1-n1nnnc1C1(N2CCOCC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C22H33N5O/c1-17-7-5-6-8-19(17)27-20(23-24-25-27)22(26-13-15-28-16-14-26)11-9-18(10-12-22)21(2,3)4/h5-8,18H,9-16H2,1-4H3
InChIKeyVKOQHFVURNHXOX-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.73
Rot. Bonds3

About 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine

4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine (PubChem CID 50812567) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine
PubChem CID50812567
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine
SMILESCc1ccccc1-n1nnnc1C1(N2CCOCC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C22H33N5O/c1-17-7-5-6-8-19(17)27-20(23-24-25-27)22(26-13-15-28-16-14-26)11-9-18(10-12-22)21(2,3)4/h5-8,18H,9-16H2,1-4H3
InChIKeyVKOQHFVURNHXOX-UHFFFAOYSA-N
XLogP3.73
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine?
The IUPAC name of 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine (CID 50812567) is 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine is Cc1ccccc1-n1nnnc1C1(N2CCOCC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine?
The InChIKey is VKOQHFVURNHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-17-7-5-6-8-19(17)27-20(23-24-25-27)22(26-13-15-28-16-14-26)11-9-18(10-12-22)21(2,3)4/h5-8,18H,9-16H2,1-4H3.
What are the key properties of 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine?
4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine has a molecular weight of 383.54 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine is sourced from PubChem (CID 50812567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).