piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid

C8H15F3N2O2 — CID 68619391

IUPACpiperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
SMILESNCC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c7-5-6-1-3-8-4-2-6;3-2(4,5)1(6)7/h6,8H,1-5,7H2;(H,6,7)
InChIKeyICPBVAPCSUODME-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.58
Rot. Bonds1

About piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid

piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 68619391) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID68619391
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Namepiperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
SMILESNCC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c7-5-6-1-3-8-4-2-6;3-2(4,5)1(6)7/h6,8H,1-5,7H2;(H,6,7)
InChIKeyICPBVAPCSUODME-UHFFFAOYSA-N
XLogP0.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid (CID 68619391) is piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid is NCC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is ICPBVAPCSUODME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2HF3O2/c7-5-6-1-3-8-4-2-6;3-2(4,5)1(6)7/h6,8H,1-5,7H2;(H,6,7).
What are the key properties of piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid?
piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 228.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68619391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).