N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine

C13H24F3N3O — CID 62968454

IUPACN-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCN(CC(F)(F)F)CC2)CCOC1
InChIInChI=1S/C13H24F3N3O/c1-17-8-12(2-7-20-11-12)9-18-3-5-19(6-4-18)10-13(14,15)16/h17H,2-11H2,1H3
InChIKeyNSNBJJXOSNXTRL-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.79
Rot. Bonds5

About N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine

N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine (PubChem CID 62968454) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine
PubChem CID62968454
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC NameN-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCN(CC(F)(F)F)CC2)CCOC1
InChIInChI=1S/C13H24F3N3O/c1-17-8-12(2-7-20-11-12)9-18-3-5-19(6-4-18)10-13(14,15)16/h17H,2-11H2,1H3
InChIKeyNSNBJJXOSNXTRL-UHFFFAOYSA-N
XLogP0.79
TPSA27.74 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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine (CID 62968454) is N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine is CNCC1(CN2CCN(CC(F)(F)F)CC2)CCOC1.
What is the InChIKey of N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine?
The InChIKey is NSNBJJXOSNXTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-17-8-12(2-7-20-11-12)9-18-3-5-19(6-4-18)10-13(14,15)16/h17H,2-11H2,1H3.
What are the key properties of N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine?
N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine has a molecular weight of 295.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62968454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).