2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine

C14H28F3N3 — CID 43362669

IUPAC2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-12(2)4-5-13(3,10-18)20-8-6-19(7-9-20)11-14(15,16)17/h12H,4-11,18H2,1-3H3
InChIKeySGUSTPWRASBVOE-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.32
Rot. Bonds6

About 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine

2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine (PubChem CID 43362669) has the molecular formula C14H28F3N3 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
PubChem CID43362669
Molecular FormulaC14H28F3N3
Molecular Weight295.39 g/mol
Exact Mass295.22
IUPAC Name2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-12(2)4-5-13(3,10-18)20-8-6-19(7-9-20)11-14(15,16)17/h12H,4-11,18H2,1-3H3
InChIKeySGUSTPWRASBVOE-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine
CID 55157653
4-methoxy-2-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62776192
2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 43173290
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 43252914
2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535281
2-(2,2-dimethylmorpholin-4-yl)-2,5-dimethylhexan-1-amine
CID 43592675
2,4-dimethyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 24705230
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
CID 64680572
3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine
CID 62557137
2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535294
6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine
CID 116535129

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
The IUPAC name of 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine (CID 43362669) is 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
The canonical SMILES for 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine is CC(C)CCC(C)(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
The InChIKey is SGUSTPWRASBVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3/c1-12(2)4-5-13(3,10-18)20-8-6-19(7-9-20)11-14(15,16)17/h12H,4-11,18H2,1-3H3.
What are the key properties of 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine is sourced from PubChem (CID 43362669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).