2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine

C14H28F3N3 — CID 63945549

IUPAC2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
SMILESCCCCC(CC)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-3-5-6-13(4-2,11-18)20-9-7-19(8-10-20)12-14(15,16)17/h3-12,18H2,1-2H3
InChIKeyNAJGTRIPGXBPJW-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.46
Rot. Bonds7

About 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine

2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine (PubChem CID 63945549) has the molecular formula C14H28F3N3 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
PubChem CID63945549
Molecular FormulaC14H28F3N3
Molecular Weight295.39 g/mol
Exact Mass295.22
IUPAC Name2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
SMILESCCCCC(CC)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-3-5-6-13(4-2,11-18)20-9-7-19(8-10-20)12-14(15,16)17/h3-12,18H2,1-2H3
InChIKeyNAJGTRIPGXBPJW-UHFFFAOYSA-N
XLogP2.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
The IUPAC name of 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine (CID 63945549) is 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine is CCCCC(CC)(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
The InChIKey is NAJGTRIPGXBPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3/c1-3-5-6-13(4-2,11-18)20-9-7-19(8-10-20)12-14(15,16)17/h3-12,18H2,1-2H3.
What are the key properties of 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine is sourced from PubChem (CID 63945549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).