6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole

C13H17N3O — CID 141109073

IUPAC6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole
SMILESCN1CCC(Oc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C13H17N3O/c1-16-6-4-10(5-7-16)17-11-2-3-12-13(8-11)15-9-14-12/h2-3,8-10H,4-7H2,1H3,(H,14,15)
InChIKeyACAQPTBLLWEVTC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds2

About 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole

6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole (PubChem CID 141109073) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole
PubChem CID141109073
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole
SMILESCN1CCC(Oc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C13H17N3O/c1-16-6-4-10(5-7-16)17-11-2-3-12-13(8-11)15-9-14-12/h2-3,8-10H,4-7H2,1H3,(H,14,15)
InChIKeyACAQPTBLLWEVTC-UHFFFAOYSA-N
XLogP2.04
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole?
The IUPAC name of 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole (CID 141109073) is 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole is CN1CCC(Oc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole?
The InChIKey is ACAQPTBLLWEVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-6-4-10(5-7-16)17-11-2-3-12-13(8-11)15-9-14-12/h2-3,8-10H,4-7H2,1H3,(H,14,15).
What are the key properties of 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole?
6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole has a molecular weight of 231.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole is sourced from PubChem (CID 141109073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).