1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium

C15H32N2+2 — CID 3048568

IUPAC1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium
SMILESC[N+]1(CCC[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C15H32N2/c1-16(10-5-3-6-11-16)14-9-15-17(2)12-7-4-8-13-17/h3-15H2,1-2H3/q+2
InChIKeyDOHRDKZACXEGEP-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.64
Rot. Bonds4

About 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium

1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium (PubChem CID 3048568) has the molecular formula C15H32N2+2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium
PubChem CID3048568
Molecular FormulaC15H32N2+2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium
SMILESC[N+]1(CCC[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C15H32N2/c1-16(10-5-3-6-11-16)14-9-15-17(2)12-7-4-8-13-17/h3-15H2,1-2H3/q+2
InChIKeyDOHRDKZACXEGEP-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.64
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-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium?
The IUPAC name of 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium (CID 3048568) is 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium?
The canonical SMILES for 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium is C[N+]1(CCC[N+]2(C)CCCCC2)CCCCC1.
What is the InChIKey of 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium?
The InChIKey is DOHRDKZACXEGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-16(10-5-3-6-11-16)14-9-15-17(2)12-7-4-8-13-17/h3-15H2,1-2H3/q+2.
What are the key properties of 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium?
1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium has a molecular weight of 240.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium is sourced from PubChem (CID 3048568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).