1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone

C10H17F3N2O — CID 64591867

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC(C)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-3-8(2)14-4-6-15(7-5-14)9(16)10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyFCLOXBZNQFZSJA-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.49
Rot. Bonds2

About 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone

1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 64591867) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone
PubChem CID64591867
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC(C)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-3-8(2)14-4-6-15(7-5-14)9(16)10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyFCLOXBZNQFZSJA-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone (CID 64591867) is 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone is CCC(C)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is FCLOXBZNQFZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-3-8(2)14-4-6-15(7-5-14)9(16)10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone?
1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 238.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 64591867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).