1,4,4-trimethylpiperidin-1-ium

C8H18N+ — CID 23277976

IUPAC1,4,4-trimethylpiperidin-1-ium
SMILESC[NH+]1CCC(C)(C)CC1
InChIInChI=1S/C8H17N/c1-8(2)4-6-9(3)7-5-8/h4-7H2,1-3H3/p+1
InChIKeyCWHCTKAJYQOXMG-UHFFFAOYSA-O
MW128.24 g/mol
LogP0.32
Rot. Bonds

About 1,4,4-trimethylpiperidin-1-ium

1,4,4-trimethylpiperidin-1-ium (PubChem CID 23277976) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is 1,4,4-trimethylpiperidin-1-ium.

Molecular Properties

Compound Name1,4,4-trimethylpiperidin-1-ium
PubChem CID23277976
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Name1,4,4-trimethylpiperidin-1-ium
SMILESC[NH+]1CCC(C)(C)CC1
InChIInChI=1S/C8H17N/c1-8(2)4-6-9(3)7-5-8/h4-7H2,1-3H3/p+1
InChIKeyCWHCTKAJYQOXMG-UHFFFAOYSA-O
XLogP0.32
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethylpiperidin-1-ium?
The IUPAC name of 1,4,4-trimethylpiperidin-1-ium (CID 23277976) is 1,4,4-trimethylpiperidin-1-ium.
What is the SMILES notation for 1,4,4-trimethylpiperidin-1-ium?
The canonical SMILES for 1,4,4-trimethylpiperidin-1-ium is C[NH+]1CCC(C)(C)CC1.
What is the InChIKey of 1,4,4-trimethylpiperidin-1-ium?
The InChIKey is CWHCTKAJYQOXMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N/c1-8(2)4-6-9(3)7-5-8/h4-7H2,1-3H3/p+1.
What are the key properties of 1,4,4-trimethylpiperidin-1-ium?
1,4,4-trimethylpiperidin-1-ium has a molecular weight of 128.24 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethylpiperidin-1-ium is sourced from PubChem (CID 23277976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).