1-methanidyl-4-methylpiperidin-1-ium

C7H15N — CID 22980573

IUPAC1-methanidyl-4-methylpiperidin-1-ium
SMILES[CH2-][NH+]1CCC(C)CC1
InChIInChI=1S/C7H15N/c1-7-3-5-8(2)6-4-7/h7-8H,2-6H2,1H3
InChIKeyFQJDTNLDQMTOLH-UHFFFAOYSA-N
MW113.20 g/mol
LogP0.09
Rot. Bonds

About 1-methanidyl-4-methylpiperidin-1-ium

1-methanidyl-4-methylpiperidin-1-ium (PubChem CID 22980573) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 1-methanidyl-4-methylpiperidin-1-ium.

Molecular Properties

Compound Name1-methanidyl-4-methylpiperidin-1-ium
PubChem CID22980573
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name1-methanidyl-4-methylpiperidin-1-ium
SMILES[CH2-][NH+]1CCC(C)CC1
InChIInChI=1S/C7H15N/c1-7-3-5-8(2)6-4-7/h7-8H,2-6H2,1H3
InChIKeyFQJDTNLDQMTOLH-UHFFFAOYSA-N
XLogP0.09
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-4-methylpiperidin-1-ium?
The IUPAC name of 1-methanidyl-4-methylpiperidin-1-ium (CID 22980573) is 1-methanidyl-4-methylpiperidin-1-ium.
What is the SMILES notation for 1-methanidyl-4-methylpiperidin-1-ium?
The canonical SMILES for 1-methanidyl-4-methylpiperidin-1-ium is [CH2-][NH+]1CCC(C)CC1.
What is the InChIKey of 1-methanidyl-4-methylpiperidin-1-ium?
The InChIKey is FQJDTNLDQMTOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-7-3-5-8(2)6-4-7/h7-8H,2-6H2,1H3.
What are the key properties of 1-methanidyl-4-methylpiperidin-1-ium?
1-methanidyl-4-methylpiperidin-1-ium has a molecular weight of 113.20 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-4-methylpiperidin-1-ium is sourced from PubChem (CID 22980573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).