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

C9H17F3N2O2 — CID 70864621

IUPAC2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
SMILESNCCC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C2HF3O2/c8-4-1-7-2-5-9-6-3-7;3-2(4,5)1(6)7/h7,9H,1-6,8H2;(H,6,7)
InChIKeyDPIHVSJHHOJVSS-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.97
Rot. Bonds2

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

2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 70864621) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
PubChem CID70864621
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
SMILESNCCC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C2HF3O2/c8-4-1-7-2-5-9-6-3-7;3-2(4,5)1(6)7/h7,9H,1-6,8H2;(H,6,7)
InChIKeyDPIHVSJHHOJVSS-UHFFFAOYSA-N
XLogP0.97
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid (CID 70864621) is 2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid is NCCC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is DPIHVSJHHOJVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2HF3O2/c8-4-1-7-2-5-9-6-3-7;3-2(4,5)1(6)7/h7,9H,1-6,8H2;(H,6,7).
What are the key properties of 2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid?
2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 242.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70864621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).