1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone

C11H19F3N2O — CID 118358598

IUPAC1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCCC(C)N1CCN(C(=O)C(F)(F)F)[C@H](C)C1
InChIInChI=1S/C11H19F3N2O/c1-4-8(2)15-5-6-16(9(3)7-15)10(17)11(12,13)14/h8-9H,4-7H2,1-3H3/t8?,9-/m1/s1
InChIKeyNYFFNUAUWWFJEU-YGPZHTELSA-N
MW252.28 g/mol
LogP1.88
Rot. Bonds2

About 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone

1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 118358598) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID118358598
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCCC(C)N1CCN(C(=O)C(F)(F)F)[C@H](C)C1
InChIInChI=1S/C11H19F3N2O/c1-4-8(2)15-5-6-16(9(3)7-15)10(17)11(12,13)14/h8-9H,4-7H2,1-3H3/t8?,9-/m1/s1
InChIKeyNYFFNUAUWWFJEU-YGPZHTELSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone 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 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone (CID 118358598) is 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone is CCC(C)N1CCN(C(=O)C(F)(F)F)[C@H](C)C1.
What is the InChIKey of 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is NYFFNUAUWWFJEU-YGPZHTELSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-4-8(2)15-5-6-16(9(3)7-15)10(17)11(12,13)14/h8-9H,4-7H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone?
1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 252.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 118358598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).