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

C14H26F3N3O — CID 62968455

IUPACN-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(CC(F)(F)F)CC2)CCOC1
InChIInChI=1S/C14H26F3N3O/c1-2-18-9-13(3-8-21-12-13)10-19-4-6-20(7-5-19)11-14(15,16)17/h18H,2-12H2,1H3
InChIKeyDYFYLGMMYHBWSM-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.18
Rot. Bonds6

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

N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 62968455) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID62968455
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(CC(F)(F)F)CC2)CCOC1
InChIInChI=1S/C14H26F3N3O/c1-2-18-9-13(3-8-21-12-13)10-19-4-6-20(7-5-19)11-14(15,16)17/h18H,2-12H2,1H3
InChIKeyDYFYLGMMYHBWSM-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine (CID 62968455) is N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN2CCN(CC(F)(F)F)CC2)CCOC1.
What is the InChIKey of N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is DYFYLGMMYHBWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-2-18-9-13(3-8-21-12-13)10-19-4-6-20(7-5-19)11-14(15,16)17/h18H,2-12H2,1H3.
What are the key properties of N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 309.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62968455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).