[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate

C13H16FNO2 — CID 844358

IUPAC[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
SMILESCN1CCC[C@@H](OC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c1-15-8-2-3-12(9-15)17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m1/s1
InChIKeyGVIXVJQTIQOTOL-GFCCVEGCSA-N
MW237.27 g/mol
LogP2.08
Rot. Bonds2

About [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate

[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate (PubChem CID 844358) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
PubChem CID844358
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
SMILESCN1CCC[C@@H](OC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c1-15-8-2-3-12(9-15)17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m1/s1
InChIKeyGVIXVJQTIQOTOL-GFCCVEGCSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylpiperidin-3-yl) 4-cyanobenzoate
CID 4171248
cyclopentyl 4-fluorobenzoate
CID 579482
[(3S)-1-methylpiperidin-3-yl] 3,4-dimethoxybenzoate
CID 905590
[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate
CID 769252
(1-methylpiperidin-3-yl) 4-(dimethylsulfamoyl)benzoate chloride
CID 53352548
cyclopropyl 4-fluorobenzoate
CID 126986458
[(3R)-1-methylpiperidin-3-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 844450
(1-methylpiperidin-3-yl) 3,5-ditert-butylbenzoate;hydrochloride
CID 2928387
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
CID 5147770
[(3S)-1-methylpiperidin-3-yl] 2-methylbenzoate
CID 805331
[(3R)-1-methylpiperidin-3-yl] 2-chlorobenzoate
CID 806606
(1-methylpyrrolidin-3-yl) 3-amino-4-fluorobenzoate
CID 112741420

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate?
The IUPAC name of [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate (CID 844358) is [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate.
What is the SMILES notation for [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate?
The canonical SMILES for [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate is CN1CCC[C@@H](OC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate?
The InChIKey is GVIXVJQTIQOTOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15-8-2-3-12(9-15)17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate?
[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate has a molecular weight of 237.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate is sourced from PubChem (CID 844358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).