1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid

C13H14FN3O2 — CID 84614259

IUPAC1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C13H14FN3O2/c14-9-1-2-10-11(7-9)16-13(15-10)17-5-3-8(4-6-17)12(18)19/h1-2,7-8H,3-6H2,(H,15,16)(H,18,19)
InChIKeyXOYRDCUQIOOEFJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.00
Rot. Bonds2

About 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid

1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 84614259) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
PubChem CID84614259
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C13H14FN3O2/c14-9-1-2-10-11(7-9)16-13(15-10)17-5-3-8(4-6-17)12(18)19/h1-2,7-8H,3-6H2,(H,15,16)(H,18,19)
InChIKeyXOYRDCUQIOOEFJ-UHFFFAOYSA-N
XLogP2.00
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
2-[4-(bromomethyl)piperidin-1-yl]-6-fluoro-1H-benzimidazole
CID 103295605
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 103295247
3-amino-1-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 107325189
1-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 122176153
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
[1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol
CID 103295426
1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 122048394
ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 82563531

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid (CID 84614259) is 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2nc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is XOYRDCUQIOOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-9-1-2-10-11(7-9)16-13(15-10)17-5-3-8(4-6-17)12(18)19/h1-2,7-8H,3-6H2,(H,15,16)(H,18,19).
What are the key properties of 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid?
1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 84614259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).