1,1-dimethyl-2-methylidenepiperidin-1-ium

C8H16N+ — CID 23437402

IUPAC1,1-dimethyl-2-methylidenepiperidin-1-ium
SMILESC=C1CCCC[N+]1(C)C
InChIInChI=1S/C8H16N/c1-8-6-4-5-7-9(8,2)3/h1,4-7H2,2-3H3/q+1
InChIKeyDDWBMPYOQAUCQN-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.76
Rot. Bonds

About 1,1-dimethyl-2-methylidenepiperidin-1-ium

1,1-dimethyl-2-methylidenepiperidin-1-ium (PubChem CID 23437402) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is 1,1-dimethyl-2-methylidenepiperidin-1-ium.

Molecular Properties

Compound Name1,1-dimethyl-2-methylidenepiperidin-1-ium
PubChem CID23437402
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name1,1-dimethyl-2-methylidenepiperidin-1-ium
SMILESC=C1CCCC[N+]1(C)C
InChIInChI=1S/C8H16N/c1-8-6-4-5-7-9(8,2)3/h1,4-7H2,2-3H3/q+1
InChIKeyDDWBMPYOQAUCQN-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.76
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 1,1-dimethyl-2-methylidenepiperidin-1-ium?
The IUPAC name of 1,1-dimethyl-2-methylidenepiperidin-1-ium (CID 23437402) is 1,1-dimethyl-2-methylidenepiperidin-1-ium.
What is the SMILES notation for 1,1-dimethyl-2-methylidenepiperidin-1-ium?
The canonical SMILES for 1,1-dimethyl-2-methylidenepiperidin-1-ium is C=C1CCCC[N+]1(C)C.
What is the InChIKey of 1,1-dimethyl-2-methylidenepiperidin-1-ium?
The InChIKey is DDWBMPYOQAUCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-8-6-4-5-7-9(8,2)3/h1,4-7H2,2-3H3/q+1.
What are the key properties of 1,1-dimethyl-2-methylidenepiperidin-1-ium?
1,1-dimethyl-2-methylidenepiperidin-1-ium has a molecular weight of 126.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-methylidenepiperidin-1-ium is sourced from PubChem (CID 23437402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).