2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid

C11H19F3N2O4 — CID 70419938

IUPAC2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid
SMILESNCC(=O)OCCN1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O2.C2HF3O2/c10-8-9(12)13-7-6-11-4-2-1-3-5-11;3-2(4,5)1(6)7/h1-8,10H2;(H,6,7)
InChIKeyPXQXEXUGFGLZIM-UHFFFAOYSA-N
MW300.28 g/mol
LogP0.61
Rot. Bonds4

About 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid

2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid (PubChem CID 70419938) has the molecular formula C11H19F3N2O4 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid
PubChem CID70419938
Molecular FormulaC11H19F3N2O4
Molecular Weight300.28 g/mol
Exact Mass300.13
IUPAC Name2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid
SMILESNCC(=O)OCCN1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O2.C2HF3O2/c10-8-9(12)13-7-6-11-4-2-1-3-5-11;3-2(4,5)1(6)7/h1-8,10H2;(H,6,7)
InChIKeyPXQXEXUGFGLZIM-UHFFFAOYSA-N
XLogP0.61
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid (CID 70419938) is 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid is NCC(=O)OCCN1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
The InChIKey is PXQXEXUGFGLZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2HF3O2/c10-8-9(12)13-7-6-11-4-2-1-3-5-11;3-2(4,5)1(6)7/h1-8,10H2;(H,6,7).
What are the key properties of 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid has a molecular weight of 300.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70419938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).