4-(piperidin-4-ylmethoxy)-1H-benzimidazole

C13H17N3O — CID 84694709

IUPAC4-(piperidin-4-ylmethoxy)-1H-benzimidazole
SMILESc1cc(OCC2CCNCC2)c2nc[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-2-11-13(16-9-15-11)12(3-1)17-8-10-4-6-14-7-5-10/h1-3,9-10,14H,4-8H2,(H,15,16)
InChIKeyUHRLBHXVXLEJTN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.94
Rot. Bonds3

About 4-(piperidin-4-ylmethoxy)-1H-benzimidazole

4-(piperidin-4-ylmethoxy)-1H-benzimidazole (PubChem CID 84694709) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name4-(piperidin-4-ylmethoxy)-1H-benzimidazole
PubChem CID84694709
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(piperidin-4-ylmethoxy)-1H-benzimidazole
SMILESc1cc(OCC2CCNCC2)c2nc[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-2-11-13(16-9-15-11)12(3-1)17-8-10-4-6-14-7-5-10/h1-3,9-10,14H,4-8H2,(H,15,16)
InChIKeyUHRLBHXVXLEJTN-UHFFFAOYSA-N
XLogP1.94
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethoxy)-1H-benzimidazole?
The IUPAC name of 4-(piperidin-4-ylmethoxy)-1H-benzimidazole (CID 84694709) is 4-(piperidin-4-ylmethoxy)-1H-benzimidazole.
What is the SMILES notation for 4-(piperidin-4-ylmethoxy)-1H-benzimidazole?
The canonical SMILES for 4-(piperidin-4-ylmethoxy)-1H-benzimidazole is c1cc(OCC2CCNCC2)c2nc[nH]c2c1.
What is the InChIKey of 4-(piperidin-4-ylmethoxy)-1H-benzimidazole?
The InChIKey is UHRLBHXVXLEJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-11-13(16-9-15-11)12(3-1)17-8-10-4-6-14-7-5-10/h1-3,9-10,14H,4-8H2,(H,15,16).
What are the key properties of 4-(piperidin-4-ylmethoxy)-1H-benzimidazole?
4-(piperidin-4-ylmethoxy)-1H-benzimidazole has a molecular weight of 231.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethoxy)-1H-benzimidazole is sourced from PubChem (CID 84694709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).