3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one

C10H17F3N2O2 — CID 110909596

IUPAC3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(CCCO)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8-9(17)15-5-3-14(4-6-15)2-1-7-16/h16H,1-8H2
InChIKeyQARDMBFVUJUOMN-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.47
Rot. Bonds4

About 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one (PubChem CID 110909596) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
PubChem CID110909596
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(CCCO)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8-9(17)15-5-3-14(4-6-15)2-1-7-16/h16H,1-8H2
InChIKeyQARDMBFVUJUOMN-UHFFFAOYSA-N
XLogP0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 19867648
1-(4-(3-Hydroxypropyl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 60499068
3-Hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
CID 143767640
3,3,3-Trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43417262
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43417409
3,3,3-Trifluoro-1-[4-(2-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 56781833
N,N-diethyl-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60277935
4,4,4-Trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
CID 65710962
4-Hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 79204425
3,3,3-trifluoro-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95613068
3,3,3-trifluoro-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95613069
3-(2,2-Difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 103209010

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one (CID 110909596) is 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCN(CCCO)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
The InChIKey is QARDMBFVUJUOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)8-9(17)15-5-3-14(4-6-15)2-1-7-16/h16H,1-8H2.
What are the key properties of 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110909596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).