4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride

C17H26ClNO — CID 51350060

IUPAC4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride
SMILESCc1ccc(C2(N3CCOCC3)CCCCC2)cc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-15-5-7-16(8-6-15)17(9-3-2-4-10-17)18-11-13-19-14-12-18;/h5-8H,2-4,9-14H2,1H3;1H
InChIKeyZVFGAUFBNPKPCJ-UHFFFAOYSA-N
MW295.85 g/mol
LogP3.91
Rot. Bonds2

About 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride

4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride (PubChem CID 51350060) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride
PubChem CID51350060
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride
SMILESCc1ccc(C2(N3CCOCC3)CCCCC2)cc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-15-5-7-16(8-6-15)17(9-3-2-4-10-17)18-11-13-19-14-12-18;/h5-8H,2-4,9-14H2,1H3;1H
InChIKeyZVFGAUFBNPKPCJ-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride?
The IUPAC name of 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride (CID 51350060) is 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride?
The canonical SMILES for 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride is Cc1ccc(C2(N3CCOCC3)CCCCC2)cc1.Cl.
What is the InChIKey of 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride?
The InChIKey is ZVFGAUFBNPKPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.ClH/c1-15-5-7-16(8-6-15)17(9-3-2-4-10-17)18-11-13-19-14-12-18;/h5-8H,2-4,9-14H2,1H3;1H.
What are the key properties of 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride?
4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride is sourced from PubChem (CID 51350060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).