(4-fluoropiperidin-4-yl) 2-methoxybenzoate

C13H16FNO3 — CID 118111033

IUPAC(4-fluoropiperidin-4-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC1(F)CCNCC1
InChIInChI=1S/C13H16FNO3/c1-17-11-5-3-2-4-10(11)12(16)18-13(14)6-8-15-9-7-13/h2-5,15H,6-9H2,1H3
InChIKeyDDQCTQQVVUFQMH-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.90
Rot. Bonds3

About (4-fluoropiperidin-4-yl) 2-methoxybenzoate

(4-fluoropiperidin-4-yl) 2-methoxybenzoate (PubChem CID 118111033) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is (4-fluoropiperidin-4-yl) 2-methoxybenzoate.

Molecular Properties

Compound Name(4-fluoropiperidin-4-yl) 2-methoxybenzoate
PubChem CID118111033
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name(4-fluoropiperidin-4-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC1(F)CCNCC1
InChIInChI=1S/C13H16FNO3/c1-17-11-5-3-2-4-10(11)12(16)18-13(14)6-8-15-9-7-13/h2-5,15H,6-9H2,1H3
InChIKeyDDQCTQQVVUFQMH-UHFFFAOYSA-N
XLogP1.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-fluoropiperidin-4-yl) 2-methoxybenzoate 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-fluoropiperidin-4-yl) 2-methoxybenzoate?
The IUPAC name of (4-fluoropiperidin-4-yl) 2-methoxybenzoate (CID 118111033) is (4-fluoropiperidin-4-yl) 2-methoxybenzoate.
What is the SMILES notation for (4-fluoropiperidin-4-yl) 2-methoxybenzoate?
The canonical SMILES for (4-fluoropiperidin-4-yl) 2-methoxybenzoate is COc1ccccc1C(=O)OC1(F)CCNCC1.
What is the InChIKey of (4-fluoropiperidin-4-yl) 2-methoxybenzoate?
The InChIKey is DDQCTQQVVUFQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-17-11-5-3-2-4-10(11)12(16)18-13(14)6-8-15-9-7-13/h2-5,15H,6-9H2,1H3.
What are the key properties of (4-fluoropiperidin-4-yl) 2-methoxybenzoate?
(4-fluoropiperidin-4-yl) 2-methoxybenzoate has a molecular weight of 253.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-4-yl) 2-methoxybenzoate is sourced from PubChem (CID 118111033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).