1-methanidyl-4-(methoxymethyl)piperidin-1-ium

C8H17NO — CID 59130943

IUPAC1-methanidyl-4-(methoxymethyl)piperidin-1-ium
SMILES[CH2-][NH+]1CCC(COC)CC1
InChIInChI=1S/C8H17NO/c1-9-5-3-8(4-6-9)7-10-2/h8-9H,1,3-7H2,2H3
InChIKeyMZHBWCOGRFNWBZ-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.28
Rot. Bonds2

About 1-methanidyl-4-(methoxymethyl)piperidin-1-ium

1-methanidyl-4-(methoxymethyl)piperidin-1-ium (PubChem CID 59130943) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-methanidyl-4-(methoxymethyl)piperidin-1-ium.

Molecular Properties

Compound Name1-methanidyl-4-(methoxymethyl)piperidin-1-ium
PubChem CID59130943
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-methanidyl-4-(methoxymethyl)piperidin-1-ium
SMILES[CH2-][NH+]1CCC(COC)CC1
InChIInChI=1S/C8H17NO/c1-9-5-3-8(4-6-9)7-10-2/h8-9H,1,3-7H2,2H3
InChIKeyMZHBWCOGRFNWBZ-UHFFFAOYSA-N
XLogP-0.28
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(methoxymethyl)piperidin-1-ium?
The IUPAC name of 1-methanidyl-4-(methoxymethyl)piperidin-1-ium (CID 59130943) is 1-methanidyl-4-(methoxymethyl)piperidin-1-ium.
What is the SMILES notation for 1-methanidyl-4-(methoxymethyl)piperidin-1-ium?
The canonical SMILES for 1-methanidyl-4-(methoxymethyl)piperidin-1-ium is [CH2-][NH+]1CCC(COC)CC1.
What is the InChIKey of 1-methanidyl-4-(methoxymethyl)piperidin-1-ium?
The InChIKey is MZHBWCOGRFNWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-9-5-3-8(4-6-9)7-10-2/h8-9H,1,3-7H2,2H3.
What are the key properties of 1-methanidyl-4-(methoxymethyl)piperidin-1-ium?
1-methanidyl-4-(methoxymethyl)piperidin-1-ium has a molecular weight of 143.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-4-(methoxymethyl)piperidin-1-ium is sourced from PubChem (CID 59130943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).