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

C12H18F6N2O3 — CID 155407829

IUPACN-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESFC(F)(F)CN(C1CCNCC1)C1COC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O.C2HF3O2/c11-10(12,13)7-15(9-5-16-6-9)8-1-3-14-4-2-8;3-2(4,5)1(6)7/h8-9,14H,1-7H2;(H,6,7)
InChIKeyQPKJUWVSACYORM-UHFFFAOYSA-N
MW352.28 g/mol
LogP1.63
Rot. Bonds3

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

N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155407829) has the molecular formula C12H18F6N2O3 and a molecular weight of 352.28 g/mol. Its IUPAC name is N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155407829
Molecular FormulaC12H18F6N2O3
Molecular Weight352.28 g/mol
Exact Mass352.12
IUPAC NameN-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESFC(F)(F)CN(C1CCNCC1)C1COC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O.C2HF3O2/c11-10(12,13)7-15(9-5-16-6-9)8-1-3-14-4-2-8;3-2(4,5)1(6)7/h8-9,14H,1-7H2;(H,6,7)
InChIKeyQPKJUWVSACYORM-UHFFFAOYSA-N
XLogP1.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 155407829) is N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is FC(F)(F)CN(C1CCNCC1)C1COC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is QPKJUWVSACYORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O.C2HF3O2/c11-10(12,13)7-15(9-5-16-6-9)8-1-3-14-4-2-8;3-2(4,5)1(6)7/h8-9,14H,1-7H2;(H,6,7).
What are the key properties of N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 352.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155407829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).