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

C14H26F3N3O — CID 62574917

IUPAC1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine
SMILESCC(NCCN1CCN(CC(F)(F)F)CC1)C1CCCO1
InChIInChI=1S/C14H26F3N3O/c1-12(13-3-2-10-21-13)18-4-5-19-6-8-20(9-7-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyQBRYOEDUIOLLCY-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.32
Rot. Bonds6

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

1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine (PubChem CID 62574917) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine
PubChem CID62574917
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine
SMILESCC(NCCN1CCN(CC(F)(F)F)CC1)C1CCCO1
InChIInChI=1S/C14H26F3N3O/c1-12(13-3-2-10-21-13)18-4-5-19-6-8-20(9-7-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyQBRYOEDUIOLLCY-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 1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine (CID 62574917) is 1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine is CC(NCCN1CCN(CC(F)(F)F)CC1)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine?
The InChIKey is QBRYOEDUIOLLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-12(13-3-2-10-21-13)18-4-5-19-6-8-20(9-7-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine?
1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]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 1-(oxolan-2-yl)-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]ethanamine is sourced from PubChem (CID 62574917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).