1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone

C15H19F3N2O2 — CID 21295676

IUPAC1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCOCC1CN(Cc2ccccc2)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-22-11-13-10-19(9-12-5-3-2-4-6-12)7-8-20(13)14(21)15(16,17)18/h2-6,13H,7-11H2,1H3
InChIKeyZVBLTWFIHCNRKJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone

1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 21295676) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID21295676
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCOCC1CN(Cc2ccccc2)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-22-11-13-10-19(9-12-5-3-2-4-6-12)7-8-20(13)14(21)15(16,17)18/h2-6,13H,7-11H2,1H3
InChIKeyZVBLTWFIHCNRKJ-UHFFFAOYSA-N
XLogP1.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone (CID 21295676) is 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone is COCC1CN(Cc2ccccc2)CCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is ZVBLTWFIHCNRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-22-11-13-10-19(9-12-5-3-2-4-6-12)7-8-20(13)14(21)15(16,17)18/h2-6,13H,7-11H2,1H3.
What are the key properties of 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 316.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzyl-2-(methoxymethyl)piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 21295676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).