1,4-dimethylpiperidin-1-ium-1-amine

C7H17N2+ — CID 57000431

IUPAC1,4-dimethylpiperidin-1-ium-1-amine
SMILESCC1CC[N+](C)(N)CC1
InChIInChI=1S/C7H17N2/c1-7-3-5-9(2,8)6-4-7/h7H,3-6,8H2,1-2H3/q+1
InChIKeyCQIDPDIKVDCGLT-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.74
Rot. Bonds

About 1,4-dimethylpiperidin-1-ium-1-amine

1,4-dimethylpiperidin-1-ium-1-amine (PubChem CID 57000431) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is 1,4-dimethylpiperidin-1-ium-1-amine.

Molecular Properties

Compound Name1,4-dimethylpiperidin-1-ium-1-amine
PubChem CID57000431
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Name1,4-dimethylpiperidin-1-ium-1-amine
SMILESCC1CC[N+](C)(N)CC1
InChIInChI=1S/C7H17N2/c1-7-3-5-9(2,8)6-4-7/h7H,3-6,8H2,1-2H3/q+1
InChIKeyCQIDPDIKVDCGLT-UHFFFAOYSA-N
XLogP0.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidin-1-ium-1-amine?
The IUPAC name of 1,4-dimethylpiperidin-1-ium-1-amine (CID 57000431) is 1,4-dimethylpiperidin-1-ium-1-amine.
What is the SMILES notation for 1,4-dimethylpiperidin-1-ium-1-amine?
The canonical SMILES for 1,4-dimethylpiperidin-1-ium-1-amine is CC1CC[N+](C)(N)CC1.
What is the InChIKey of 1,4-dimethylpiperidin-1-ium-1-amine?
The InChIKey is CQIDPDIKVDCGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-7-3-5-9(2,8)6-4-7/h7H,3-6,8H2,1-2H3/q+1.
What are the key properties of 1,4-dimethylpiperidin-1-ium-1-amine?
1,4-dimethylpiperidin-1-ium-1-amine has a molecular weight of 129.23 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidin-1-ium-1-amine is sourced from PubChem (CID 57000431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).