1-methyl-1-propylpiperidin-1-ium

C9H20N+ — CID 16726631

IUPAC1-methyl-1-propylpiperidin-1-ium
SMILESCCC[N+]1(C)CCCCC1
InChIInChI=1S/C9H20N/c1-3-7-10(2)8-5-4-6-9-10/h3-9H2,1-2H3/q+1
InChIKeyOGLIVJFAKNJZRE-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.03
Rot. Bonds2

About 1-methyl-1-propylpiperidin-1-ium

1-methyl-1-propylpiperidin-1-ium (PubChem CID 16726631) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-methyl-1-propylpiperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-propylpiperidin-1-ium
PubChem CID16726631
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Name1-methyl-1-propylpiperidin-1-ium
SMILESCCC[N+]1(C)CCCCC1
InChIInChI=1S/C9H20N/c1-3-7-10(2)8-5-4-6-9-10/h3-9H2,1-2H3/q+1
InChIKeyOGLIVJFAKNJZRE-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propylpiperidin-1-ium?
The IUPAC name of 1-methyl-1-propylpiperidin-1-ium (CID 16726631) is 1-methyl-1-propylpiperidin-1-ium.
What is the SMILES notation for 1-methyl-1-propylpiperidin-1-ium?
The canonical SMILES for 1-methyl-1-propylpiperidin-1-ium is CCC[N+]1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-propylpiperidin-1-ium?
The InChIKey is OGLIVJFAKNJZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-3-7-10(2)8-5-4-6-9-10/h3-9H2,1-2H3/q+1.
What are the key properties of 1-methyl-1-propylpiperidin-1-ium?
1-methyl-1-propylpiperidin-1-ium has a molecular weight of 142.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propylpiperidin-1-ium is sourced from PubChem (CID 16726631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).