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

C18H24ClN5O — CID 3786261

IUPAC4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine
SMILESCC1CCC(c2nnnn2-c2ccc(Cl)cc2)(N2CCOCC2)CC1
InChIInChI=1S/C18H24ClN5O/c1-14-6-8-18(9-7-14,23-10-12-25-13-11-23)17-20-21-22-24(17)16-4-2-15(19)3-5-16/h2-5,14H,6-13H2,1H3
InChIKeyYSOXSQVSCWQMCH-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.05
Rot. Bonds3

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

4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine (PubChem CID 3786261) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine
PubChem CID3786261
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine
SMILESCC1CCC(c2nnnn2-c2ccc(Cl)cc2)(N2CCOCC2)CC1
InChIInChI=1S/C18H24ClN5O/c1-14-6-8-18(9-7-14,23-10-12-25-13-11-23)17-20-21-22-24(17)16-4-2-15(19)3-5-16/h2-5,14H,6-13H2,1H3
InChIKeyYSOXSQVSCWQMCH-UHFFFAOYSA-N
XLogP3.05
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine?
The IUPAC name of 4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine (CID 3786261) is 4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine.
What is the SMILES notation for 4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine?
The canonical SMILES for 4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine is CC1CCC(c2nnnn2-c2ccc(Cl)cc2)(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine?
The InChIKey is YSOXSQVSCWQMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-14-6-8-18(9-7-14,23-10-12-25-13-11-23)17-20-21-22-24(17)16-4-2-15(19)3-5-16/h2-5,14H,6-13H2,1H3.
What are the key properties of 4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine?
4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine has a molecular weight of 361.88 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylcyclohexyl]morpholine is sourced from PubChem (CID 3786261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).