1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid

C11H18F3NO2 — CID 67263543

IUPAC1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCCCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-1-2-6-15-7-3-9(4-8-15)10(16)17/h9H,1-8H2,(H,16,17)
InChIKeyDCMIHZFBILVGLL-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.52
Rot. Bonds5

About 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid

1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid (PubChem CID 67263543) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid
PubChem CID67263543
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCCCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-1-2-6-15-7-3-9(4-8-15)10(16)17/h9H,1-8H2,(H,16,17)
InChIKeyDCMIHZFBILVGLL-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methylpiperidine-4-carboxylic acid
CID 2736939
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-(Cyclopropylmethyl)piperidine-4-carboxylic acid hydrochloride
CID 17221488
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1-Cyclobutylpiperidine-4-carboxylic acid
CID 53440464
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
4-Fluoro-1-methylpiperidine-4-carboxylic acid hydrochloride
CID 91667882
1-(Carbonofluoridoyl)piperidine-4-carboxylic acid
CID 143488886

Frequently Asked Questions

What is the IUPAC name of 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid (CID 67263543) is 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CCCCC(F)(F)F)CC1.
What is the InChIKey of 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid?
The InChIKey is DCMIHZFBILVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)5-1-2-6-15-7-3-9(4-8-15)10(16)17/h9H,1-8H2,(H,16,17).
What are the key properties of 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid?
1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 67263543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).