4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol

C13H19FN2O — CID 126846923

IUPAC4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol
SMILESCc1ccc(F)cc1NCC1(O)CCNCC1
InChIInChI=1S/C13H19FN2O/c1-10-2-3-11(14)8-12(10)16-9-13(17)4-6-15-7-5-13/h2-3,8,15-17H,4-7,9H2,1H3
InChIKeyCOXPJJRRAWXQFL-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.66
Rot. Bonds3

About 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol

4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol (PubChem CID 126846923) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol
PubChem CID126846923
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol
SMILESCc1ccc(F)cc1NCC1(O)CCNCC1
InChIInChI=1S/C13H19FN2O/c1-10-2-3-11(14)8-12(10)16-9-13(17)4-6-15-7-5-13/h2-3,8,15-17H,4-7,9H2,1H3
InChIKeyCOXPJJRRAWXQFL-UHFFFAOYSA-N
XLogP1.66
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(5-fluoro-2-methylanilino)methyl]piperidin-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 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol (CID 126846923) is 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol is Cc1ccc(F)cc1NCC1(O)CCNCC1.
What is the InChIKey of 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol?
The InChIKey is COXPJJRRAWXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-2-3-11(14)8-12(10)16-9-13(17)4-6-15-7-5-13/h2-3,8,15-17H,4-7,9H2,1H3.
What are the key properties of 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol?
4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol has a molecular weight of 238.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol is sourced from PubChem (CID 126846923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).