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

C11H14F3N3O2 — CID 118295033

IUPAC4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid
SMILESCn1cc(C(F)(F)F)nc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H14F3N3O2/c1-16-6-8(11(12,13)14)15-9(16)7-2-4-17(5-3-7)10(18)19/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyWMYGFNABKCTMJB-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.30
Rot. Bonds1

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

4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 118295033) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid
PubChem CID118295033
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid
SMILESCn1cc(C(F)(F)F)nc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H14F3N3O2/c1-16-6-8(11(12,13)14)15-9(16)7-2-4-17(5-3-7)10(18)19/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyWMYGFNABKCTMJB-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid (CID 118295033) is 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid is Cn1cc(C(F)(F)F)nc1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is WMYGFNABKCTMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-16-6-8(11(12,13)14)15-9(16)7-2-4-17(5-3-7)10(18)19/h6-7H,2-5H2,1H3,(H,18,19).
What are the key properties of 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid?
4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118295033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).