5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid

C9H15F2NO3 — CID 170786127

IUPAC5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCOCCN1CC(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO3/c1-15-3-2-12-5-7(8(13)14)4-9(10,11)6-12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyUAFMXPHBQQAMHX-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.67
Rot. Bonds4

About 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid

5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid (PubChem CID 170786127) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid
PubChem CID170786127
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCOCCN1CC(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO3/c1-15-3-2-12-5-7(8(13)14)4-9(10,11)6-12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyUAFMXPHBQQAMHX-UHFFFAOYSA-N
XLogP0.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-3-piperidinecarboxylic acid
CID 21266355
1-(2,2,2-Trifluoroethyl)piperidine-3-carboxylic acid hydrochloride
CID 71757212
1-(2,2,2-Trifluoroethyl)piperidine-3-carboxylic acid
CID 19622793
Ethyl 1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate
CID 19622900
(3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 28160828
3-Methoxycarbonyl-5-(trifluoromethyl)piperidine-1-carboxylic acid
CID 67034563
1-(2-Fluoroethyl)piperidine-3-carboxylic acid
CID 80694453
(3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid
CID 88574587
5-Ethoxycarbonyl-3,3-difluoropiperidine-1-carboxylic acid
CID 90311713
5,5-Difluoro-1-methylpiperidine-3-carboxylic acid
CID 91010840
Methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate
CID 105482767
3,3-Difluoro-5-methoxycarbonylpiperidine-1-carboxylic acid
CID 117834807

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid (CID 170786127) is 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid is COCCN1CC(C(=O)O)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is UAFMXPHBQQAMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-15-3-2-12-5-7(8(13)14)4-9(10,11)6-12/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid?
5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid has a molecular weight of 223.22 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 170786127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).