fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate

C13H16FNO3 — CID 174368686

IUPACfluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate
SMILESCc1cc(N2CCC(O)CC2)ccc1C(=O)OF
InChIInChI=1S/C13H16FNO3/c1-9-8-10(2-3-12(9)13(17)18-14)15-6-4-11(16)5-7-15/h2-3,8,11,16H,4-7H2,1H3
InChIKeyAJIRYBHWXWEDIZ-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.00
Rot. Bonds2

About fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate

fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate (PubChem CID 174368686) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate.

Molecular Properties

Compound Namefluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate
PubChem CID174368686
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namefluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate
SMILESCc1cc(N2CCC(O)CC2)ccc1C(=O)OF
InChIInChI=1S/C13H16FNO3/c1-9-8-10(2-3-12(9)13(17)18-14)15-6-4-11(16)5-7-15/h2-3,8,11,16H,4-7H2,1H3
InChIKeyAJIRYBHWXWEDIZ-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate 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 fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate?
The IUPAC name of fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate (CID 174368686) is fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate.
What is the SMILES notation for fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate?
The canonical SMILES for fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate is Cc1cc(N2CCC(O)CC2)ccc1C(=O)OF.
What is the InChIKey of fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate?
The InChIKey is AJIRYBHWXWEDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9-8-10(2-3-12(9)13(17)18-14)15-6-4-11(16)5-7-15/h2-3,8,11,16H,4-7H2,1H3.
What are the key properties of fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate?
fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate has a molecular weight of 253.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate is sourced from PubChem (CID 174368686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).