(1-methylpiperidin-1-ium-4-yl)azanium

C6H16N2+2 — CID 6991936

IUPAC(1-methylpiperidin-1-ium-4-yl)azanium
SMILESC[NH+]1CCC([NH3+])CC1
InChIInChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3/p+2
InChIKeyALOCUZOKRULSAA-UHFFFAOYSA-P
MW116.21 g/mol
LogP-2.09
Rot. Bonds

About (1-methylpiperidin-1-ium-4-yl)azanium

(1-methylpiperidin-1-ium-4-yl)azanium (PubChem CID 6991936) has the molecular formula C6H16N2+2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (1-methylpiperidin-1-ium-4-yl)azanium.

Molecular Properties

Compound Name(1-methylpiperidin-1-ium-4-yl)azanium
PubChem CID6991936
Molecular FormulaC6H16N2+2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(1-methylpiperidin-1-ium-4-yl)azanium
SMILESC[NH+]1CCC([NH3+])CC1
InChIInChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3/p+2
InChIKeyALOCUZOKRULSAA-UHFFFAOYSA-P
XLogP-2.09
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 5-2.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-1-ium-4-yl)azanium?
The IUPAC name of (1-methylpiperidin-1-ium-4-yl)azanium (CID 6991936) is (1-methylpiperidin-1-ium-4-yl)azanium.
What is the SMILES notation for (1-methylpiperidin-1-ium-4-yl)azanium?
The canonical SMILES for (1-methylpiperidin-1-ium-4-yl)azanium is C[NH+]1CCC([NH3+])CC1.
What is the InChIKey of (1-methylpiperidin-1-ium-4-yl)azanium?
The InChIKey is ALOCUZOKRULSAA-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3/p+2.
What are the key properties of (1-methylpiperidin-1-ium-4-yl)azanium?
(1-methylpiperidin-1-ium-4-yl)azanium has a molecular weight of 116.21 g/mol, XLogP of -2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-1-ium-4-yl)azanium is sourced from PubChem (CID 6991936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).