N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid

C12H21F3N2O3 — CID 126511752

IUPACN-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCCN(C1CCNCC1)C1COC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-2-12(10-7-13-8-10)9-3-5-11-6-4-9;3-2(4,5)1(6)7/h9-11H,2-8H2,1H3;(H,6,7)
InChIKeyGJYCHWAIBGPJMV-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.09
Rot. Bonds3

About N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid

N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 126511752) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID126511752
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC NameN-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCCN(C1CCNCC1)C1COC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-2-12(10-7-13-8-10)9-3-5-11-6-4-9;3-2(4,5)1(6)7/h9-11H,2-8H2,1H3;(H,6,7)
InChIKeyGJYCHWAIBGPJMV-UHFFFAOYSA-N
XLogP1.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 126511752) is N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid is CCN(C1CCNCC1)C1COC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GJYCHWAIBGPJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2HF3O2/c1-2-12(10-7-13-8-10)9-3-5-11-6-4-9;3-2(4,5)1(6)7/h9-11H,2-8H2,1H3;(H,6,7).
What are the key properties of N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 298.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126511752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).