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

C13H26F3N3 — CID 62967239

IUPAC2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNC(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-11(2)17-8-12(3)9-18-4-6-19(7-5-18)10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyYOLYZRZYHSSMKR-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.80
Rot. Bonds6

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

2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (PubChem CID 62967239) has the molecular formula C13H26F3N3 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
PubChem CID62967239
Molecular FormulaC13H26F3N3
Molecular Weight281.37 g/mol
Exact Mass281.21
IUPAC Name2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNC(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-11(2)17-8-12(3)9-18-4-6-19(7-5-18)10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyYOLYZRZYHSSMKR-UHFFFAOYSA-N
XLogP1.80
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (CID 62967239) is 2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is CC(CNC(C)C)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is YOLYZRZYHSSMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3/c1-11(2)17-8-12(3)9-18-4-6-19(7-5-18)10-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62967239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).