2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol

C20H25FN2O2 — CID 45233237

IUPAC2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCCC(Nc3ccc(F)cc3)C2)c1O
InChIInChI=1S/C20H25FN2O2/c1-2-25-19-7-3-5-15(20(19)24)13-23-12-4-6-18(14-23)22-17-10-8-16(21)9-11-17/h3,5,7-11,18,22,24H,2,4,6,12-14H2,1H3
InChIKeyQIYHVJLTZJMTPI-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.01
Rot. Bonds6

About 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol

2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol (PubChem CID 45233237) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol
PubChem CID45233237
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCCC(Nc3ccc(F)cc3)C2)c1O
InChIInChI=1S/C20H25FN2O2/c1-2-25-19-7-3-5-15(20(19)24)13-23-12-4-6-18(14-23)22-17-10-8-16(21)9-11-17/h3,5,7-11,18,22,24H,2,4,6,12-14H2,1H3
InChIKeyQIYHVJLTZJMTPI-UHFFFAOYSA-N
XLogP4.01
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol 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-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol (CID 45233237) is 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol is CCOc1cccc(CN2CCCC(Nc3ccc(F)cc3)C2)c1O.
What is the InChIKey of 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol?
The InChIKey is QIYHVJLTZJMTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-2-25-19-7-3-5-15(20(19)24)13-23-12-4-6-18(14-23)22-17-10-8-16(21)9-11-17/h3,5,7-11,18,22,24H,2,4,6,12-14H2,1H3.
What are the key properties of 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol?
2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol has a molecular weight of 344.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[3-(4-fluoroanilino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 45233237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).