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

C13H24F3N3O — CID 106821741

IUPAC[3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3O/c1-2-20-11-7-12(8-11,9-17)19-5-3-18(4-6-19)10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyZTNXEUVXWNHWOV-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.06
Rot. Bonds5

About [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine

[3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine (PubChem CID 106821741) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
PubChem CID106821741
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name[3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3O/c1-2-20-11-7-12(8-11,9-17)19-5-3-18(4-6-19)10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyZTNXEUVXWNHWOV-UHFFFAOYSA-N
XLogP1.06
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-Ethoxy-1-(morpholin-4-yl)cyclobutyl]methanamine
CID 86775697
4-Methoxy-2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 61872560
[2-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110012
6,6,6-Trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine
CID 102965097
[3-Methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
CID 106821742
1-(aminomethyl)-3-ethoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 106822173
1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 106822174
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine
CID 106822244
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine
CID 106822245
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 114995079
4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 114998337
6,6,6-Trifluoro-2-(4-methoxypiperidin-1-yl)-2-methylhexan-1-amine
CID 116535147

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
The IUPAC name of [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine (CID 106821741) is [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
The canonical SMILES for [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine is CCOC1CC(CN)(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
The InChIKey is ZTNXEUVXWNHWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-2-20-11-7-12(8-11,9-17)19-5-3-18(4-6-19)10-13(14,15)16/h11H,2-10,17H2,1H3.
What are the key properties of [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
[3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine has a molecular weight of 295.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 106821741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).