1-benzyl-1-(4-methylphenyl)piperidin-1-ium

C19H24N+ — CID 86588823

IUPAC1-benzyl-1-(4-methylphenyl)piperidin-1-ium
SMILESCc1ccc([N+]2(Cc3ccccc3)CCCCC2)cc1
InChIInChI=1S/C19H24N/c1-17-10-12-19(13-11-17)20(14-6-3-7-15-20)16-18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-16H2,1H3/q+1
InChIKeyOSMQNPWGOIJSKT-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.69
Rot. Bonds3

About 1-benzyl-1-(4-methylphenyl)piperidin-1-ium

1-benzyl-1-(4-methylphenyl)piperidin-1-ium (PubChem CID 86588823) has the molecular formula C19H24N+ and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-benzyl-1-(4-methylphenyl)piperidin-1-ium.

Molecular Properties

Compound Name1-benzyl-1-(4-methylphenyl)piperidin-1-ium
PubChem CID86588823
Molecular FormulaC19H24N+
Molecular Weight266.41 g/mol
Exact Mass266.19
IUPAC Name1-benzyl-1-(4-methylphenyl)piperidin-1-ium
SMILESCc1ccc([N+]2(Cc3ccccc3)CCCCC2)cc1
InChIInChI=1S/C19H24N/c1-17-10-12-19(13-11-17)20(14-6-3-7-15-20)16-18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-16H2,1H3/q+1
InChIKeyOSMQNPWGOIJSKT-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(4-methylphenyl)piperidin-1-ium?
The IUPAC name of 1-benzyl-1-(4-methylphenyl)piperidin-1-ium (CID 86588823) is 1-benzyl-1-(4-methylphenyl)piperidin-1-ium.
What is the SMILES notation for 1-benzyl-1-(4-methylphenyl)piperidin-1-ium?
The canonical SMILES for 1-benzyl-1-(4-methylphenyl)piperidin-1-ium is Cc1ccc([N+]2(Cc3ccccc3)CCCCC2)cc1.
What is the InChIKey of 1-benzyl-1-(4-methylphenyl)piperidin-1-ium?
The InChIKey is OSMQNPWGOIJSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N/c1-17-10-12-19(13-11-17)20(14-6-3-7-15-20)16-18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-16H2,1H3/q+1.
What are the key properties of 1-benzyl-1-(4-methylphenyl)piperidin-1-ium?
1-benzyl-1-(4-methylphenyl)piperidin-1-ium has a molecular weight of 266.41 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(4-methylphenyl)piperidin-1-ium is sourced from PubChem (CID 86588823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).