N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine

C14H26F3N3O — CID 62969155

IUPACN-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCN(CC(F)(F)F)CC2)O1
InChIInChI=1S/C14H26F3N3O/c1-2-18-9-12-3-4-13(21-12)10-19-5-7-20(8-6-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyBYIKAMCXGZVXAT-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.32
Rot. Bonds6

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

N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 62969155) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID62969155
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCN(CC(F)(F)F)CC2)O1
InChIInChI=1S/C14H26F3N3O/c1-2-18-9-12-3-4-13(21-12)10-19-5-7-20(8-6-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyBYIKAMCXGZVXAT-UHFFFAOYSA-N
XLogP1.32
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine (CID 62969155) is N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(CN2CCN(CC(F)(F)F)CC2)O1.
What is the InChIKey of N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is BYIKAMCXGZVXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-2-18-9-12-3-4-13(21-12)10-19-5-7-20(8-6-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine?
N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 309.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62969155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).