1-benzyl-4-cyclopentylpyridin-1-ium

C17H20N+ — CID 139730937

IUPAC1-benzyl-4-cyclopentylpyridin-1-ium
SMILESc1ccc(C[n+]2ccc(C3CCCC3)cc2)cc1
InChIInChI=1S/C17H20N/c1-2-6-15(7-3-1)14-18-12-10-17(11-13-18)16-8-4-5-9-16/h1-3,6-7,10-13,16H,4-5,8-9,14H2/q+1
InChIKeyVHYCPUOWDWUNQQ-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.68
Rot. Bonds3

About 1-benzyl-4-cyclopentylpyridin-1-ium

1-benzyl-4-cyclopentylpyridin-1-ium (PubChem CID 139730937) has the molecular formula C17H20N+ and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-benzyl-4-cyclopentylpyridin-1-ium.

Molecular Properties

Compound Name1-benzyl-4-cyclopentylpyridin-1-ium
PubChem CID139730937
Molecular FormulaC17H20N+
Molecular Weight238.35 g/mol
Exact Mass238.16
IUPAC Name1-benzyl-4-cyclopentylpyridin-1-ium
SMILESc1ccc(C[n+]2ccc(C3CCCC3)cc2)cc1
InChIInChI=1S/C17H20N/c1-2-6-15(7-3-1)14-18-12-10-17(11-13-18)16-8-4-5-9-16/h1-3,6-7,10-13,16H,4-5,8-9,14H2/q+1
InChIKeyVHYCPUOWDWUNQQ-UHFFFAOYSA-N
XLogP3.68
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-cyclopentylpyridin-1-ium?
The IUPAC name of 1-benzyl-4-cyclopentylpyridin-1-ium (CID 139730937) is 1-benzyl-4-cyclopentylpyridin-1-ium.
What is the SMILES notation for 1-benzyl-4-cyclopentylpyridin-1-ium?
The canonical SMILES for 1-benzyl-4-cyclopentylpyridin-1-ium is c1ccc(C[n+]2ccc(C3CCCC3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-cyclopentylpyridin-1-ium?
The InChIKey is VHYCPUOWDWUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N/c1-2-6-15(7-3-1)14-18-12-10-17(11-13-18)16-8-4-5-9-16/h1-3,6-7,10-13,16H,4-5,8-9,14H2/q+1.
What are the key properties of 1-benzyl-4-cyclopentylpyridin-1-ium?
1-benzyl-4-cyclopentylpyridin-1-ium has a molecular weight of 238.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-cyclopentylpyridin-1-ium is sourced from PubChem (CID 139730937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).