1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone

C11H17F3N2O — CID 57104166

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCN(C2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)10(17)16-7-5-15(6-8-16)9-3-1-2-4-9/h9H,1-8H2
InChIKeyKEFOKKSRIQXILG-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.64
Rot. Bonds1

About 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone

1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 57104166) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone
PubChem CID57104166
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCN(C2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)10(17)16-7-5-15(6-8-16)9-3-1-2-4-9/h9H,1-8H2
InChIKeyKEFOKKSRIQXILG-UHFFFAOYSA-N
XLogP1.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone (CID 57104166) is 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone is O=C(N1CCN(C2CCCC2)CC1)C(F)(F)F.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is KEFOKKSRIQXILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)10(17)16-7-5-15(6-8-16)9-3-1-2-4-9/h9H,1-8H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone?
1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 250.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 57104166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).