1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol

C13H19FN2O2 — CID 81097828

IUPAC1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
SMILESCOc1cc(N2CCC(C)(O)CC2)c(N)cc1F
InChIInChI=1S/C13H19FN2O2/c1-13(17)3-5-16(6-4-13)11-8-12(18-2)9(14)7-10(11)15/h7-8,17H,3-6,15H2,1-2H3
InChIKeyNVGVCSONQLJAOD-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.77
Rot. Bonds2

About 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol

1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol (PubChem CID 81097828) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
PubChem CID81097828
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
SMILESCOc1cc(N2CCC(C)(O)CC2)c(N)cc1F
InChIInChI=1S/C13H19FN2O2/c1-13(17)3-5-16(6-4-13)11-8-12(18-2)9(14)7-10(11)15/h7-8,17H,3-6,15H2,1-2H3
InChIKeyNVGVCSONQLJAOD-UHFFFAOYSA-N
XLogP1.77
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol 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 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol (CID 81097828) is 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol is COc1cc(N2CCC(C)(O)CC2)c(N)cc1F.
What is the InChIKey of 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol?
The InChIKey is NVGVCSONQLJAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-13(17)3-5-16(6-4-13)11-8-12(18-2)9(14)7-10(11)15/h7-8,17H,3-6,15H2,1-2H3.
What are the key properties of 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol?
1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol has a molecular weight of 254.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).