1-butan-2-yl-1-ethylpiperidin-1-ium

C11H24N+ — CID 68754920

IUPAC1-butan-2-yl-1-ethylpiperidin-1-ium
SMILESCCC(C)[N+]1(CC)CCCCC1
InChIInChI=1S/C11H24N/c1-4-11(3)12(5-2)9-7-6-8-10-12/h11H,4-10H2,1-3H3/q+1
InChIKeyLCAUYAVEBKFAKD-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.81
Rot. Bonds3

About 1-butan-2-yl-1-ethylpiperidin-1-ium

1-butan-2-yl-1-ethylpiperidin-1-ium (PubChem CID 68754920) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is 1-butan-2-yl-1-ethylpiperidin-1-ium.

Molecular Properties

Compound Name1-butan-2-yl-1-ethylpiperidin-1-ium
PubChem CID68754920
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name1-butan-2-yl-1-ethylpiperidin-1-ium
SMILESCCC(C)[N+]1(CC)CCCCC1
InChIInChI=1S/C11H24N/c1-4-11(3)12(5-2)9-7-6-8-10-12/h11H,4-10H2,1-3H3/q+1
InChIKeyLCAUYAVEBKFAKD-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.81
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-butan-2-yl-1-ethylpiperidin-1-ium?
The IUPAC name of 1-butan-2-yl-1-ethylpiperidin-1-ium (CID 68754920) is 1-butan-2-yl-1-ethylpiperidin-1-ium.
What is the SMILES notation for 1-butan-2-yl-1-ethylpiperidin-1-ium?
The canonical SMILES for 1-butan-2-yl-1-ethylpiperidin-1-ium is CCC(C)[N+]1(CC)CCCCC1.
What is the InChIKey of 1-butan-2-yl-1-ethylpiperidin-1-ium?
The InChIKey is LCAUYAVEBKFAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-4-11(3)12(5-2)9-7-6-8-10-12/h11H,4-10H2,1-3H3/q+1.
What are the key properties of 1-butan-2-yl-1-ethylpiperidin-1-ium?
1-butan-2-yl-1-ethylpiperidin-1-ium has a molecular weight of 170.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-ethylpiperidin-1-ium is sourced from PubChem (CID 68754920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).