2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one

C10H18F3N3O2 — CID 79797064

IUPAC2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-9(14,10(11,12)13)8(18)16-4-2-15(3-5-16)6-7-17/h17H,2-7,14H2,1H3
InChIKeyNIHPEMJLSHKQHP-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.60
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one

2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 79797064) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID79797064
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-9(14,10(11,12)13)8(18)16-4-2-15(3-5-16)6-7-17/h17H,2-7,14H2,1H3
InChIKeyNIHPEMJLSHKQHP-UHFFFAOYSA-N
XLogP-0.60
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one (CID 79797064) is 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one is CC(N)(C(=O)N1CCN(CCO)CC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is NIHPEMJLSHKQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-9(14,10(11,12)13)8(18)16-4-2-15(3-5-16)6-7-17/h17H,2-7,14H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 269.27 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 79797064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).