1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid

C11H15F2N3O2 — CID 43414288

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C11H15F2N3O2/c12-11(13)16-6-3-14-9(16)7-15-4-1-8(2-5-15)10(17)18/h3,6,8,11H,1-2,4-5,7H2,(H,17,18)
InChIKeyDTSGZZFGARNGHW-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.57
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 43414288) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID43414288
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C11H15F2N3O2/c12-11(13)16-6-3-14-9(16)7-15-4-1-8(2-5-15)10(17)18/h3,6,8,11H,1-2,4-5,7H2,(H,17,18)
InChIKeyDTSGZZFGARNGHW-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

Imidazole-1-butyric acid, 2-methyl-
CID 3066546
4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)butanoic acid
CID 16227801
5H,6H,7H,8H-imidazo(1,2-a)pyridine-7-carboxylic acid hydrochloride
CID 19429290
Methyl 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-2-(piperidin-1-ylmethyl)butanoate
CID 42948586
1-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787475
4-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]butanoic acid
CID 137645845
4-(2-methyl-1H-imidazol-1-yl)butanoic acid hydrochloride
CID 45074983
4,4,4-trifluoro-3-(1-methyl-1H-imidazol-2-yl)butanoic acid hydrochloride
CID 119031093
3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyridine-7-carboxylic acid hydrochloride
CID 145874389
3-(1-Butylimidazol-2-yl)-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 16365596
Ethyl 1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 47013972
7-[(1-Methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 118744424

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid (CID 43414288) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is DTSGZZFGARNGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-11(13)16-6-3-14-9(16)7-15-4-1-8(2-5-15)10(17)18/h3,6,8,11H,1-2,4-5,7H2,(H,17,18).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 43414288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).