4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine

C18H24ClN5O — CID 3193646

IUPAC4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine
SMILESClc1ccc(C(c2nnnn2C2CCCCC2)N2CCOCC2)cc1
InChIInChI=1S/C18H24ClN5O/c19-15-8-6-14(7-9-15)17(23-10-12-25-13-11-23)18-20-21-22-24(18)16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2
InChIKeyFIWNQJLTYWZKKV-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.25
Rot. Bonds4

About 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine

4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine (PubChem CID 3193646) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine
PubChem CID3193646
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine
SMILESClc1ccc(C(c2nnnn2C2CCCCC2)N2CCOCC2)cc1
InChIInChI=1S/C18H24ClN5O/c19-15-8-6-14(7-9-15)17(23-10-12-25-13-11-23)18-20-21-22-24(18)16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2
InChIKeyFIWNQJLTYWZKKV-UHFFFAOYSA-N
XLogP3.25
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine (CID 3193646) is 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine is Clc1ccc(C(c2nnnn2C2CCCCC2)N2CCOCC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine?
The InChIKey is FIWNQJLTYWZKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c19-15-8-6-14(7-9-15)17(23-10-12-25-13-11-23)18-20-21-22-24(18)16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2.
What are the key properties of 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine?
4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine has a molecular weight of 361.88 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholine is sourced from PubChem (CID 3193646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).