4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one

C12H21F3N2O2 — CID 75391487

IUPAC4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one
SMILESCCC(CO)N1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-2-10(9-18)16-5-7-17(8-6-16)11(19)3-4-12(13,14)15/h10,18H,2-9H2,1H3
InChIKeyOUYWQMVHWVWFAZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.24
Rot. Bonds5

About 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one

4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 75391487) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one
PubChem CID75391487
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one
SMILESCCC(CO)N1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-2-10(9-18)16-5-7-17(8-6-16)11(19)3-4-12(13,14)15/h10,18H,2-9H2,1H3
InChIKeyOUYWQMVHWVWFAZ-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one (CID 75391487) is 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one is CCC(CO)N1CCN(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is OUYWQMVHWVWFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-10(9-18)16-5-7-17(8-6-16)11(19)3-4-12(13,14)15/h10,18H,2-9H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 282.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 75391487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).