2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol

C21H33FN2O2 — CID 59444092

IUPAC2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol
SMILESCCOC1CCC(C)(N2CCC(Nc3cc(C)cc(F)c3O)CC2)CC1
InChIInChI=1S/C21H33FN2O2/c1-4-26-17-5-9-21(3,10-6-17)24-11-7-16(8-12-24)23-19-14-15(2)13-18(22)20(19)25/h13-14,16-17,23,25H,4-12H2,1-3H3
InChIKeyAADMVAVDOAZLHC-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.45
Rot. Bonds5

About 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol

2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol (PubChem CID 59444092) has the molecular formula C21H33FN2O2 and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol
PubChem CID59444092
Molecular FormulaC21H33FN2O2
Molecular Weight364.51 g/mol
Exact Mass364.25
IUPAC Name2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol
SMILESCCOC1CCC(C)(N2CCC(Nc3cc(C)cc(F)c3O)CC2)CC1
InChIInChI=1S/C21H33FN2O2/c1-4-26-17-5-9-21(3,10-6-17)24-11-7-16(8-12-24)23-19-14-15(2)13-18(22)20(19)25/h13-14,16-17,23,25H,4-12H2,1-3H3
InChIKeyAADMVAVDOAZLHC-UHFFFAOYSA-N
XLogP4.45
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol 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 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol?
The IUPAC name of 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol (CID 59444092) is 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol.
What is the SMILES notation for 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol?
The canonical SMILES for 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol is CCOC1CCC(C)(N2CCC(Nc3cc(C)cc(F)c3O)CC2)CC1.
What is the InChIKey of 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol?
The InChIKey is AADMVAVDOAZLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2O2/c1-4-26-17-5-9-21(3,10-6-17)24-11-7-16(8-12-24)23-19-14-15(2)13-18(22)20(19)25/h13-14,16-17,23,25H,4-12H2,1-3H3.
What are the key properties of 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol?
2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol has a molecular weight of 364.51 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol is sourced from PubChem (CID 59444092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).