[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine

C13H24F3N3 — CID 81170703

IUPAC[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine
SMILESNCC1(CCN2CCN(CC(F)(F)F)CC2)CCC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)11-19-8-6-18(7-9-19)5-4-12(10-17)2-1-3-12/h1-11,17H2
InChIKeyNXFOREABWCJENP-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.69
Rot. Bonds5

About [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine

[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine (PubChem CID 81170703) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine
PubChem CID81170703
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine
SMILESNCC1(CCN2CCN(CC(F)(F)F)CC2)CCC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)11-19-8-6-18(7-9-19)5-4-12(10-17)2-1-3-12/h1-11,17H2
InChIKeyNXFOREABWCJENP-UHFFFAOYSA-N
XLogP1.69
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
CID 113440220
[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]cyclohexyl]methanamine
CID 104678904
5-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 43253140
[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine
CID 81171364
1-propyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 176694162
[1-[2-(4-ethoxypiperidin-1-yl)ethyl]cyclobutyl]methanamine
CID 81169483
[1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine
CID 81170715
[1-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]azepan-4-yl]methanamine
CID 65075298
[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
CID 104678921
1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62968799
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine
CID 81170602

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine (CID 81170703) is [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine is NCC1(CCN2CCN(CC(F)(F)F)CC2)CCC1.
What is the InChIKey of [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine?
The InChIKey is NXFOREABWCJENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c14-13(15,16)11-19-8-6-18(7-9-19)5-4-12(10-17)2-1-3-12/h1-11,17H2.
What are the key properties of [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine?
[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine has a molecular weight of 279.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 81170703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).