2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

C10H20F3N3 — CID 16790592

IUPAC2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(C)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-9(2,7-14)16-5-3-15(4-6-16)8-10(11,12)13/h3-8,14H2,1-2H3
InChIKeyUSKUTJSRTSKUGK-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.90
Rot. Bonds3

About 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (PubChem CID 16790592) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
PubChem CID16790592
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(C)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-9(2,7-14)16-5-3-15(4-6-16)8-10(11,12)13/h3-8,14H2,1-2H3
InChIKeyUSKUTJSRTSKUGK-UHFFFAOYSA-N
XLogP0.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (CID 16790592) is 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is CC(C)(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is USKUTJSRTSKUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-9(2,7-14)16-5-3-15(4-6-16)8-10(11,12)13/h3-8,14H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 16790592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).