1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium

C17H38N2+2 — CID 160666992

IUPAC1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(C)CCCC1.CCC[N+]1(C)CCCCC1
InChIInChI=1S/C9H20N.C8H18N/c1-3-7-10(2)8-5-4-6-9-10;1-3-6-9(2)7-4-5-8-9/h3-9H2,1-2H3;3-8H2,1-2H3/q2*+1
InChIKeyGYRCSNCIPFXRBV-UHFFFAOYSA-N
MW270.50 g/mol
LogP3.66
Rot. Bonds4

About 1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium

1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium (PubChem CID 160666992) has the molecular formula C17H38N2+2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
PubChem CID160666992
Molecular FormulaC17H38N2+2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(C)CCCC1.CCC[N+]1(C)CCCCC1
InChIInChI=1S/C9H20N.C8H18N/c1-3-7-10(2)8-5-4-6-9-10;1-3-6-9(2)7-4-5-8-9/h3-9H2,1-2H3;3-8H2,1-2H3/q2*+1
InChIKeyGYRCSNCIPFXRBV-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 53.66
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;1-methyl-1-propylpyrrolidin-1-ium?
The IUPAC name of 1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium (CID 160666992) is 1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium.
What is the SMILES notation for 1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium?
The canonical SMILES for 1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium is CCC[N+]1(C)CCCC1.CCC[N+]1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium?
The InChIKey is GYRCSNCIPFXRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.C8H18N/c1-3-7-10(2)8-5-4-6-9-10;1-3-6-9(2)7-4-5-8-9/h3-9H2,1-2H3;3-8H2,1-2H3/q2*+1.
What are the key properties of 1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium?
1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium has a molecular weight of 270.50 g/mol, XLogP of 3.66, 4 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;1-methyl-1-propylpyrrolidin-1-ium is sourced from PubChem (CID 160666992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).