1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

C12H18F6N2O5 — CID 139022807

IUPAC1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCN(C2COC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.2C2HF3O2/c9-7-1-3-10(4-2-7)8-5-11-6-8;2*3-2(4,5)1(6)7/h7-8H,1-6,9H2;2*(H,6,7)
InChIKeyCZHVANTULMIWLE-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.07
Rot. Bonds1

About 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 139022807) has the molecular formula C12H18F6N2O5 and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID139022807
Molecular FormulaC12H18F6N2O5
Molecular Weight384.27 g/mol
Exact Mass384.11
IUPAC Name1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCN(C2COC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.2C2HF3O2/c9-7-1-3-10(4-2-7)8-5-11-6-8;2*3-2(4,5)1(6)7/h7-8H,1-6,9H2;2*(H,6,7)
InChIKeyCZHVANTULMIWLE-UHFFFAOYSA-N
XLogP1.07
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 139022807) is 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is NC1CCN(C2COC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is CZHVANTULMIWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2C2HF3O2/c9-7-1-3-10(4-2-7)8-5-11-6-8;2*3-2(4,5)1(6)7/h7-8H,1-6,9H2;2*(H,6,7).
What are the key properties of 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 384.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 139022807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).