4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine

C17H22ClN5O — CID 5009574

IUPAC4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine
SMILESClc1cccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C17H22ClN5O/c18-14-5-4-6-15(13-14)23-16(19-20-21-23)17(7-2-1-3-8-17)22-9-11-24-12-10-22/h4-6,13H,1-3,7-12H2
InChIKeyGPFYTUKBPNNZSL-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.81
Rot. Bonds3

About 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine

4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine (PubChem CID 5009574) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine
PubChem CID5009574
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine
SMILESClc1cccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C17H22ClN5O/c18-14-5-4-6-15(13-14)23-16(19-20-21-23)17(7-2-1-3-8-17)22-9-11-24-12-10-22/h4-6,13H,1-3,7-12H2
InChIKeyGPFYTUKBPNNZSL-UHFFFAOYSA-N
XLogP2.81
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine?
The IUPAC name of 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine (CID 5009574) is 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine?
The canonical SMILES for 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine is Clc1cccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)c1.
What is the InChIKey of 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine?
The InChIKey is GPFYTUKBPNNZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c18-14-5-4-6-15(13-14)23-16(19-20-21-23)17(7-2-1-3-8-17)22-9-11-24-12-10-22/h4-6,13H,1-3,7-12H2.
What are the key properties of 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine?
4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine has a molecular weight of 347.85 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]morpholine is sourced from PubChem (CID 5009574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).