3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine

C11H20F3N3O — CID 62967867

IUPAC3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine
SMILESNC1CCOCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-16-2-4-17(5-3-16)10-7-18-6-1-9(10)15/h9-10H,1-8,15H2
InChIKeyZYNWXHCNHKSTRP-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.28
Rot. Bonds2

About 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine

3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine (PubChem CID 62967867) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine
PubChem CID62967867
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine
SMILESNC1CCOCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-16-2-4-17(5-3-16)10-7-18-6-1-9(10)15/h9-10H,1-8,15H2
InChIKeyZYNWXHCNHKSTRP-UHFFFAOYSA-N
XLogP0.28
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059949
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-amine
CID 62967349
3-(4-propylpiperazin-1-yl)oxan-4-amine
CID 43608787
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine
CID 62967522
4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 55141742
3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine
CID 103495081
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine
CID 79938355
[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
CID 62968920
3-(4-benzylpiperidin-1-yl)oxan-4-amine
CID 43608816
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 62967694
8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane
CID 139387201

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine?
The IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine (CID 62967867) is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine is NC1CCOCC1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine?
The InChIKey is ZYNWXHCNHKSTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c12-11(13,14)8-16-2-4-17(5-3-16)10-7-18-6-1-9(10)15/h9-10H,1-8,15H2.
What are the key properties of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine?
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine has a molecular weight of 267.29 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine is sourced from PubChem (CID 62967867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).