3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one

C12H14FNO — CID 163438171

IUPAC3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one
SMILES[2H]C(c1ccc(F)cc1)C1([2H])CCCNC1=O
InChIInChI=1S/C12H14FNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15)/i8D,10D
InChIKeyYZHUFKNGGSTLGQ-ZWFZLLPRSA-N
MW209.26 g/mol
LogP1.89
Rot. Bonds2

About 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one

3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one (PubChem CID 163438171) has the molecular formula C12H14FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one
PubChem CID163438171
Molecular FormulaC12H14FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one
SMILES[2H]C(c1ccc(F)cc1)C1([2H])CCCNC1=O
InChIInChI=1S/C12H14FNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15)/i8D,10D
InChIKeyYZHUFKNGGSTLGQ-ZWFZLLPRSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one (CID 163438171) is 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one is [2H]C(c1ccc(F)cc1)C1([2H])CCCNC1=O.
What is the InChIKey of 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one?
The InChIKey is YZHUFKNGGSTLGQ-ZWFZLLPRSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15)/i8D,10D.
What are the key properties of 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one?
3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one has a molecular weight of 209.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-3-[deuterio-(4-fluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 163438171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).