(4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine

C19H20FNO3 — CID 58878747

IUPAC(4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine
SMILES[2H]C1([2H])Oc2ccc(OCC3([2H])CNCC[C@H]3c3ccc(F)cc3)cc2O1
InChIInChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14?,17-/m0/s1/i12D2,14D
InChIKeyAHOUBRCZNHFOSL-RUKDQNTPSA-N
MW332.39 g/mol
LogP3.33
Rot. Bonds4

About (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine

(4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine (PubChem CID 58878747) has the molecular formula C19H20FNO3 and a molecular weight of 332.39 g/mol. Its IUPAC name is (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name(4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine
PubChem CID58878747
Molecular FormulaC19H20FNO3
Molecular Weight332.39 g/mol
Exact Mass332.16
IUPAC Name(4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine
SMILES[2H]C1([2H])Oc2ccc(OCC3([2H])CNCC[C@H]3c3ccc(F)cc3)cc2O1
InChIInChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14?,17-/m0/s1/i12D2,14D
InChIKeyAHOUBRCZNHFOSL-RUKDQNTPSA-N
XLogP3.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine 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 (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine?
The IUPAC name of (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine (CID 58878747) is (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine.
What is the SMILES notation for (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine?
The canonical SMILES for (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine is [2H]C1([2H])Oc2ccc(OCC3([2H])CNCC[C@H]3c3ccc(F)cc3)cc2O1.
What is the InChIKey of (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine?
The InChIKey is AHOUBRCZNHFOSL-RUKDQNTPSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14?,17-/m0/s1/i12D2,14D.
What are the key properties of (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine?
(4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine has a molecular weight of 332.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-deuterio-3-[(2,2-dideuterio-1,3-benzodioxol-5-yl)oxymethyl]-4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 58878747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).