N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine

C13H20F3N3O — CID 62969152

IUPACN-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(CN2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C13H20F3N3O/c1-17-8-11-2-3-12(20-11)9-18-4-6-19(7-5-18)10-13(14,15)16/h2-3,17H,4-10H2,1H3
InChIKeyQVRKXBBEBLDEKR-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.68
Rot. Bonds5

About N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine

N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine (PubChem CID 62969152) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
PubChem CID62969152
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(CN2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C13H20F3N3O/c1-17-8-11-2-3-12(20-11)9-18-4-6-19(7-5-18)10-13(14,15)16/h2-3,17H,4-10H2,1H3
InChIKeyQVRKXBBEBLDEKR-UHFFFAOYSA-N
XLogP1.68
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine (CID 62969152) is N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine is CNCc1ccc(CN2CCN(CC(F)(F)F)CC2)o1.
What is the InChIKey of N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
The InChIKey is QVRKXBBEBLDEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-17-8-11-2-3-12(20-11)9-18-4-6-19(7-5-18)10-13(14,15)16/h2-3,17H,4-10H2,1H3.
What are the key properties of N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine has a molecular weight of 291.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62969152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).