(2S,6S)-2,6-dimethylpiperidin-1-ium

C7H16N+ — CID 6560360

IUPAC(2S,6S)-2,6-dimethylpiperidin-1-ium
SMILESC[C@H]1CCC[C@H](C)[NH2+]1
InChIInChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/p+1/t6-,7-/m0/s1
InChIKeySDGKUVSVPIIUCF-BQBZGAKWSA-O
MW114.21 g/mol
LogP0.51
Rot. Bonds

About (2S,6S)-2,6-dimethylpiperidin-1-ium

(2S,6S)-2,6-dimethylpiperidin-1-ium (PubChem CID 6560360) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethylpiperidin-1-ium
PubChem CID6560360
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Name(2S,6S)-2,6-dimethylpiperidin-1-ium
SMILESC[C@H]1CCC[C@H](C)[NH2+]1
InChIInChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/p+1/t6-,7-/m0/s1
InChIKeySDGKUVSVPIIUCF-BQBZGAKWSA-O
XLogP0.51
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,6S)-2,6-dimethylpiperidin-1-ium;tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139108647
(2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride
CID 11126820
(2S)-2-methylpyrrolidin-1-ium
CID 6999701
(2S,6R)-2,6-dimethylpiperazine-1,4-diium
CID 6950260
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclooctane;methylcyclobutane
CID 159456217
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
1-amino-2,6-dimethylcyclohexan-1-ol
CID 176657357
1,3-diiodo-2-methylcyclohexane
CID 146238386
butyl (2S,6R)-6-methylpiperidin-1-ium-2-carboxylate
CID 7047097
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethylpiperidin-1-ium?
The IUPAC name of (2S,6S)-2,6-dimethylpiperidin-1-ium (CID 6560360) is (2S,6S)-2,6-dimethylpiperidin-1-ium.
What is the SMILES notation for (2S,6S)-2,6-dimethylpiperidin-1-ium?
The canonical SMILES for (2S,6S)-2,6-dimethylpiperidin-1-ium is C[C@H]1CCC[C@H](C)[NH2+]1.
What is the InChIKey of (2S,6S)-2,6-dimethylpiperidin-1-ium?
The InChIKey is SDGKUVSVPIIUCF-BQBZGAKWSA-O. The full InChI is InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/p+1/t6-,7-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethylpiperidin-1-ium?
(2S,6S)-2,6-dimethylpiperidin-1-ium has a molecular weight of 114.21 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethylpiperidin-1-ium is sourced from PubChem (CID 6560360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).