piperidin-3-amine;tris(2,2,2-trifluoroacetic acid)

C11H15F9N2O6 — CID 158850702

IUPACpiperidin-3-amine;tris(2,2,2-trifluoroacetic acid)
SMILESNC1CCCNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2.3C2HF3O2/c6-5-2-1-3-7-4-5;3*3-2(4,5)1(6)7/h5,7H,1-4,6H2;3*(H,6,7)
InChIKeyIZKLMVJBCHCDJC-UHFFFAOYSA-N
MW442.23 g/mol
LogP1.60
Rot. Bonds

About piperidin-3-amine;tris(2,2,2-trifluoroacetic acid)

piperidin-3-amine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 158850702) has the molecular formula C11H15F9N2O6 and a molecular weight of 442.23 g/mol. Its IUPAC name is piperidin-3-amine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepiperidin-3-amine;tris(2,2,2-trifluoroacetic acid)
PubChem CID158850702
Molecular FormulaC11H15F9N2O6
Molecular Weight442.23 g/mol
Exact Mass442.08
IUPAC Namepiperidin-3-amine;tris(2,2,2-trifluoroacetic acid)
SMILESNC1CCCNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2.3C2HF3O2/c6-5-2-1-3-7-4-5;3*3-2(4,5)1(6)7/h5,7H,1-4,6H2;3*(H,6,7)
InChIKeyIZKLMVJBCHCDJC-UHFFFAOYSA-N
XLogP1.60
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.23
LogP ≤ 51.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-amine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of piperidin-3-amine;tris(2,2,2-trifluoroacetic acid) (CID 158850702) is piperidin-3-amine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for piperidin-3-amine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for piperidin-3-amine;tris(2,2,2-trifluoroacetic acid) is NC1CCCNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of piperidin-3-amine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is IZKLMVJBCHCDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.3C2HF3O2/c6-5-2-1-3-7-4-5;3*3-2(4,5)1(6)7/h5,7H,1-4,6H2;3*(H,6,7).
What are the key properties of piperidin-3-amine;tris(2,2,2-trifluoroacetic acid)?
piperidin-3-amine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 442.23 g/mol, XLogP of 1.60, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-amine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158850702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).