1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

C10H14F3NO5 — CID 69364652

IUPAC1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(C(=O)O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13NO3.C2HF3O2/c1-6(10)9-4-2-7(3-5-9)8(11)12;3-2(4,5)1(6)7/h7H,2-5H2,1H3,(H,11,12);(H,6,7)
InChIKeyIZNABIDWASZFHY-UHFFFAOYSA-N
MW285.22 g/mol
LogP0.96
Rot. Bonds1

About 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 69364652) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID69364652
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Name1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(C(=O)O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13NO3.C2HF3O2/c1-6(10)9-4-2-7(3-5-9)8(11)12;3-2(4,5)1(6)7/h7H,2-5H2,1H3,(H,11,12);(H,6,7)
InChIKeyIZNABIDWASZFHY-UHFFFAOYSA-N
XLogP0.96
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-((Tert-butoxy)carbonyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 17983139
1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-(tert-Butoxycarbonyl)-4-fluoropiperidine-4-carboxylic Acid
CID 21050397
1-Boc-3,3-difluoropiperidin-4-carboxylic acid
CID 72207303
1-((Tert-butoxy)carbonyl)-4-(difluoromethyl)piperidine-4-carboxylic acid
CID 84811550
1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610

Frequently Asked Questions

What is the IUPAC name of 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (CID 69364652) is 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is CC(=O)N1CCC(C(=O)O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is IZNABIDWASZFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C2HF3O2/c1-6(10)9-4-2-7(3-5-9)8(11)12;3-2(4,5)1(6)7/h7H,2-5H2,1H3,(H,11,12);(H,6,7).
What are the key properties of 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 285.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69364652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).