(4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C12H20F3N3O2 — CID 66248895

IUPAC(4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(CC(F)(F)F)CC2)COCC1N
InChIInChI=1S/C12H20F3N3O2/c1-11(8-20-6-9(11)16)10(19)18-4-2-17(3-5-18)7-12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyBWRIDOOAYDZCNN-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.06
Rot. Bonds2

About (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 66248895) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID66248895
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name(4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(CC(F)(F)F)CC2)COCC1N
InChIInChI=1S/C12H20F3N3O2/c1-11(8-20-6-9(11)16)10(19)18-4-2-17(3-5-18)7-12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyBWRIDOOAYDZCNN-UHFFFAOYSA-N
XLogP0.06
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 66248895) is (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is CC1(C(=O)N2CCN(CC(F)(F)F)CC2)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is BWRIDOOAYDZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-11(8-20-6-9(11)16)10(19)18-4-2-17(3-5-18)7-12(13,14)15/h9H,2-8,16H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 295.31 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66248895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).