4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

C8H13F3N2O4 — CID 175704283

IUPAC4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESNC1(C(=O)O)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O2.C2HF3O2/c7-6(5(9)10)1-3-8-4-2-6;3-2(4,5)1(6)7/h8H,1-4,7H2,(H,9,10);(H,6,7)
InChIKeyBTRDNRZJDXHFCJ-UHFFFAOYSA-N
MW258.20 g/mol
LogP-0.21
Rot. Bonds1

About 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 175704283) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID175704283
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESNC1(C(=O)O)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O2.C2HF3O2/c7-6(5(9)10)1-3-8-4-2-6;3-2(4,5)1(6)7/h8H,1-4,7H2,(H,9,10);(H,6,7)
InChIKeyBTRDNRZJDXHFCJ-UHFFFAOYSA-N
XLogP-0.21
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (CID 175704283) is 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is NC1(C(=O)O)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is BTRDNRZJDXHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C2HF3O2/c7-6(5(9)10)1-3-8-4-2-6;3-2(4,5)1(6)7/h8H,1-4,7H2,(H,9,10);(H,6,7).
What are the key properties of 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 258.20 g/mol, XLogP of -0.21, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175704283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).