2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole

C16H23N3O — CID 63870066

IUPAC2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(COC2CCNCC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-12(2)19-15-6-4-3-5-14(15)18-16(19)11-20-13-7-9-17-10-8-13/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyPKJDTXJUABROGF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.89
Rot. Bonds4

About 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole

2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole (PubChem CID 63870066) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole
PubChem CID63870066
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(COC2CCNCC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-12(2)19-15-6-4-3-5-14(15)18-16(19)11-20-13-7-9-17-10-8-13/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyPKJDTXJUABROGF-UHFFFAOYSA-N
XLogP2.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole (CID 63870066) is 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole is CC(C)n1c(COC2CCNCC2)nc2ccccc21.
What is the InChIKey of 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole?
The InChIKey is PKJDTXJUABROGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)19-15-6-4-3-5-14(15)18-16(19)11-20-13-7-9-17-10-8-13/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole?
2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole has a molecular weight of 273.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 63870066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).