1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium

C14H30N+ — CID 20561635

IUPAC1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium
SMILESCCCC1(C)CCCC[N+]1(CC)CCC
InChIInChI=1S/C14H30N/c1-5-10-14(4)11-8-9-13-15(14,7-3)12-6-2/h5-13H2,1-4H3/q+1
InChIKeyUWFVJAKYTVEMOZ-UHFFFAOYSA-N
MW212.40 g/mol
LogP3.98
Rot. Bonds5

About 1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium

1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium (PubChem CID 20561635) has the molecular formula C14H30N+ and a molecular weight of 212.40 g/mol. Its IUPAC name is 1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium.

Molecular Properties

Compound Name1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium
PubChem CID20561635
Molecular FormulaC14H30N+
Molecular Weight212.40 g/mol
Exact Mass212.24
IUPAC Name1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium
SMILESCCCC1(C)CCCC[N+]1(CC)CCC
InChIInChI=1S/C14H30N/c1-5-10-14(4)11-8-9-13-15(14,7-3)12-6-2/h5-13H2,1-4H3/q+1
InChIKeyUWFVJAKYTVEMOZ-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 53.98
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-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium?
The IUPAC name of 1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium (CID 20561635) is 1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium.
What is the SMILES notation for 1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium?
The canonical SMILES for 1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium is CCCC1(C)CCCC[N+]1(CC)CCC.
What is the InChIKey of 1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium?
The InChIKey is UWFVJAKYTVEMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N/c1-5-10-14(4)11-8-9-13-15(14,7-3)12-6-2/h5-13H2,1-4H3/q+1.
What are the key properties of 1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium?
1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium has a molecular weight of 212.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-1,2-dipropylpiperidin-1-ium is sourced from PubChem (CID 20561635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).