4-tert-butyl-1-methylpiperidin-1-ium

C10H22N+ — CID 3691983

IUPAC4-tert-butyl-1-methylpiperidin-1-ium
SMILESC[NH+]1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N/c1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3/p+1
InChIKeyOAQVMNQONZQCLR-UHFFFAOYSA-O
MW156.29 g/mol
LogP0.96
Rot. Bonds

About 4-tert-butyl-1-methylpiperidin-1-ium

4-tert-butyl-1-methylpiperidin-1-ium (PubChem CID 3691983) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is 4-tert-butyl-1-methylpiperidin-1-ium.

Molecular Properties

Compound Name4-tert-butyl-1-methylpiperidin-1-ium
PubChem CID3691983
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Name4-tert-butyl-1-methylpiperidin-1-ium
SMILESC[NH+]1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N/c1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3/p+1
InChIKeyOAQVMNQONZQCLR-UHFFFAOYSA-O
XLogP0.96
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methylpiperidin-1-ium?
The IUPAC name of 4-tert-butyl-1-methylpiperidin-1-ium (CID 3691983) is 4-tert-butyl-1-methylpiperidin-1-ium.
What is the SMILES notation for 4-tert-butyl-1-methylpiperidin-1-ium?
The canonical SMILES for 4-tert-butyl-1-methylpiperidin-1-ium is C[NH+]1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-methylpiperidin-1-ium?
The InChIKey is OAQVMNQONZQCLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21N/c1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3/p+1.
What are the key properties of 4-tert-butyl-1-methylpiperidin-1-ium?
4-tert-butyl-1-methylpiperidin-1-ium has a molecular weight of 156.29 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methylpiperidin-1-ium is sourced from PubChem (CID 3691983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).