4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid

C10H12F3N3O2 — CID 67112312

IUPAC4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-14-8(15-7)6-1-3-16(4-2-6)9(17)18/h5-6H,1-4H2,(H,14,15)(H,17,18)
InChIKeyZKXLJKGNWQSJBI-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.29
Rot. Bonds1

About 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid

4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 67112312) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
PubChem CID67112312
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-14-8(15-7)6-1-3-16(4-2-6)9(17)18/h5-6H,1-4H2,(H,14,15)(H,17,18)
InChIKeyZKXLJKGNWQSJBI-UHFFFAOYSA-N
XLogP2.29
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid (CID 67112312) is 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is ZKXLJKGNWQSJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-14-8(15-7)6-1-3-16(4-2-6)9(17)18/h5-6H,1-4H2,(H,14,15)(H,17,18).
What are the key properties of 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67112312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).