2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole

C12H17N3 — CID 70988964

IUPAC2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole
SMILESC1=CCC2N=C(C3CCNCC3)NC2=C1
InChIInChI=1S/C12H17N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-3,9,11,13H,4-8H2,(H,14,15)
InChIKeyTVPSPUAFXOCEBQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.20
Rot. Bonds1

About 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole

2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole (PubChem CID 70988964) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole
PubChem CID70988964
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole
SMILESC1=CCC2N=C(C3CCNCC3)NC2=C1
InChIInChI=1S/C12H17N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-3,9,11,13H,4-8H2,(H,14,15)
InChIKeyTVPSPUAFXOCEBQ-UHFFFAOYSA-N
XLogP1.20
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole (CID 70988964) is 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole is C1=CCC2N=C(C3CCNCC3)NC2=C1.
What is the InChIKey of 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole?
The InChIKey is TVPSPUAFXOCEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-3,9,11,13H,4-8H2,(H,14,15).
What are the key properties of 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole?
2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole has a molecular weight of 203.29 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 70988964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).