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

C11H15F2N3O2 — CID 43441040

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C11H15F2N3O2/c12-11(13)16-6-4-14-9(16)7-15-5-2-1-3-8(15)10(17)18/h4,6,8,11H,1-3,5,7H2,(H,17,18)
InChIKeyLOSUVKROUUIHFU-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.72
Rot. Bonds4

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

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid (PubChem CID 43441040) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid
PubChem CID43441040
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C11H15F2N3O2/c12-11(13)16-6-4-14-9(16)7-15-5-2-1-3-8(15)10(17)18/h4,6,8,11H,1-3,5,7H2,(H,17,18)
InChIKeyLOSUVKROUUIHFU-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Imidazol-1-ylhexanoic acid;hydrochloride
CID 45264028
6-(1H-Imidazol-1-yl)hexanoic acid
CID 12803314
6-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]hexanoic acid
CID 137639812
1-(Pyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 16794777
5H,6H,7H,8H-imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride
CID 71756831
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 45082602
3,3-Difluoro-2-(3-prop-2-enylimidazol-3-ium-1-yl)heptanoic acid
CID 87199203
3,3-Difluoro-2-(3-prop-2-enylimidazol-3-ium-1-yl)pentanoic acid
CID 87199263
1-[2-(Trifluoromethyl)imidazol-1-yl]cyclopropane-1-carboxylic acid
CID 171833140
Trifluoromethyl 2-imidazol-1-yl-3-methylhexanoate
CID 174606773
1-[2-(Difluoromethyl)imidazol-1-yl]cyclopropane-1-carboxylic acid
CID 176261241
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 43414288

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid (CID 43441040) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid?
The InChIKey is LOSUVKROUUIHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-11(13)16-6-4-14-9(16)7-15-5-2-1-3-8(15)10(17)18/h4,6,8,11H,1-3,5,7H2,(H,17,18).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.72, 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-2-carboxylic acid is sourced from PubChem (CID 43441040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).