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

C12H22F3N3O — CID 43608708

IUPAC[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)10-17-3-5-18(6-4-17)11(9-16)1-7-19-8-2-11/h1-10,16H2
InChIKeyCNRJYXNUZADZJU-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.67
Rot. Bonds3

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

[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine (PubChem CID 43608708) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
PubChem CID43608708
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)10-17-3-5-18(6-4-17)11(9-16)1-7-19-8-2-11/h1-10,16H2
InChIKeyCNRJYXNUZADZJU-UHFFFAOYSA-N
XLogP0.67
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine with MolForge

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Related Compounds

[4-(Morpholin-4-yl)oxan-4-yl]methanamine
CID 43608666
1-Methyl-9-oxa-1,4-diazaspiro(5.5)undecane
CID 82412329
1-Tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine
CID 129179108
(2R)-2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine
CID 165128236
2-(Difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine
CID 174172877
4-Methoxy-2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 61872560
2-(Oxan-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62387031
[4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine
CID 62966723
N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine
CID 62966724
[2-Ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64109814
[2-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110012
[2,2-Dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110013

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine (CID 43608708) is [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine is NCC1(N2CCN(CC(F)(F)F)CC2)CCOCC1.
What is the InChIKey of [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine?
The InChIKey is CNRJYXNUZADZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c13-12(14,15)10-17-3-5-18(6-4-17)11(9-16)1-7-19-8-2-11/h1-10,16H2.
What are the key properties of [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine?
[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine has a molecular weight of 281.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 43608708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).