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

C12H22F3N3O — CID 106821742

IUPAC[3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H22F3N3O/c1-19-10-6-11(7-10,8-16)18-4-2-17(3-5-18)9-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyPWOQCNRQJRLYNS-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.67
Rot. Bonds4

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

[3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine (PubChem CID 106821742) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is [3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
PubChem CID106821742
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name[3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H22F3N3O/c1-19-10-6-11(7-10,8-16)18-4-2-17(3-5-18)9-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyPWOQCNRQJRLYNS-UHFFFAOYSA-N
XLogP0.67
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
The IUPAC name of [3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine (CID 106821742) is [3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for [3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
The canonical SMILES for [3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine is COC1CC(CN)(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
The InChIKey is PWOQCNRQJRLYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-19-10-6-11(7-10,8-16)18-4-2-17(3-5-18)9-12(13,14)15/h10H,2-9,16H2,1H3.
What are the key properties of [3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
[3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine has a molecular weight of 281.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 106821742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).