1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid

C11H15F2N3O2 — CID 43440682

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C11H15F2N3O2/c12-11(13)16-5-3-14-9(16)7-15-4-1-2-8(6-15)10(17)18/h3,5,8,11H,1-2,4,6-7H2,(H,17,18)
InChIKeyGZUOPLAIAFGCNK-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.57
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 43440682) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid
PubChem CID43440682
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C11H15F2N3O2/c12-11(13)16-5-3-14-9(16)7-15-4-1-2-8(6-15)10(17)18/h3,5,8,11H,1-2,4,6-7H2,(H,17,18)
InChIKeyGZUOPLAIAFGCNK-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
1-(Pyrazin-2-yl)piperidine-3-carboxylic acid
CID 16786441
5H,6H,7H,8H-imidazo(1,2-a)pyridine-8-carboxylic acid
CID 47003545
5H,6H,7H,8H-imidazo(1,2-a)pyridine-6-carboxylic acid hydrochloride
CID 91663960
3-bromo-5H,6H,7H,8H-imidazo(1,2-a)pyridine-6-carboxylic acid hydrochloride
CID 145874458
3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
CID 165669590
5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
CID 165801362
5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
CID 10820947
5-(2-Ethyl-1h-imidazol-1-yl) pentanoic acid
CID 61347134
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 43414288
3-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propanoic acid
CID 43522364

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid (CID 43440682) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2nccn2C(F)F)C1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is GZUOPLAIAFGCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-11(13)16-5-3-14-9(16)7-15-4-1-2-8(6-15)10(17)18/h3,5,8,11H,1-2,4,6-7H2,(H,17,18).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).