N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

C14H28F3N3 — CID 62967241

IUPACN-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNC(C)(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-12(9-18-13(2,3)4)10-19-5-7-20(8-6-19)11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyWPXXYSORNNXEQG-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.19
Rot. Bonds5

About N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (PubChem CID 62967241) has the molecular formula C14H28F3N3 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
PubChem CID62967241
Molecular FormulaC14H28F3N3
Molecular Weight295.39 g/mol
Exact Mass295.22
IUPAC NameN-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNC(C)(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-12(9-18-13(2,3)4)10-19-5-7-20(8-6-19)11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyWPXXYSORNNXEQG-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (CID 62967241) is N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is CC(CNC(C)(C)C)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is WPXXYSORNNXEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3/c1-12(9-18-13(2,3)4)10-19-5-7-20(8-6-19)11-14(15,16)17/h12,18H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62967241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).