2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one

C12H19F3N2O — CID 62968449

IUPAC2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-17-6-4-16(5-7-17)8-10-2-1-3-11(10)18/h10H,1-9H2
InChIKeyPLSHYCZPVJELIT-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.54
Rot. Bonds3

About 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one

2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one (PubChem CID 62968449) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one
PubChem CID62968449
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-17-6-4-16(5-7-17)8-10-2-1-3-11(10)18/h10H,1-9H2
InChIKeyPLSHYCZPVJELIT-UHFFFAOYSA-N
XLogP1.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one (CID 62968449) is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one is O=C1CCCC1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one?
The InChIKey is PLSHYCZPVJELIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)9-17-6-4-16(5-7-17)8-10-2-1-3-11(10)18/h10H,1-9H2.
What are the key properties of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one?
2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one has a molecular weight of 264.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one is sourced from PubChem (CID 62968449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).