1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid

C10H14F3NO3 — CID 53216155

IUPAC1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)4-1-8(15)14-5-2-7(3-6-14)9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyBVBNKOXESBCGCH-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.65
Rot. Bonds3

About 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid

1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid (PubChem CID 53216155) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid
PubChem CID53216155
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)4-1-8(15)14-5-2-7(3-6-14)9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyBVBNKOXESBCGCH-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-Formyl-4-piperidinecarboxylic Acid
CID 2759232
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-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-(Prop-2-ynoyl)piperidine-4-carboxylic acid
CID 24696023
1-Boc-3,3-difluoropiperidin-4-carboxylic acid
CID 72207303
1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91663079
1-(Carbonofluoridoyl)piperidine-4-carboxylic acid
CID 143488886
1-(2-Fluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 165997509

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid (CID 53216155) is 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid?
The InChIKey is BVBNKOXESBCGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)4-1-8(15)14-5-2-7(3-6-14)9(16)17/h7H,1-6H2,(H,16,17).
What are the key properties of 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid?
1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 53216155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).