2,3-dimethylpiperidin-1-ium

C7H16N+ — CID 78435745

IUPAC2,3-dimethylpiperidin-1-ium
SMILESCC1CCC[NH2+]C1C
InChIInChI=1S/C7H15N/c1-6-4-3-5-8-7(6)2/h6-8H,3-5H2,1-2H3/p+1
InChIKeyDRLFSUDDXLQHJT-UHFFFAOYSA-O
MW114.21 g/mol
LogP0.37
Rot. Bonds

About 2,3-dimethylpiperidin-1-ium

2,3-dimethylpiperidin-1-ium (PubChem CID 78435745) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is 2,3-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name2,3-dimethylpiperidin-1-ium
PubChem CID78435745
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Name2,3-dimethylpiperidin-1-ium
SMILESCC1CCC[NH2+]C1C
InChIInChI=1S/C7H15N/c1-6-4-3-5-8-7(6)2/h6-8H,3-5H2,1-2H3/p+1
InChIKeyDRLFSUDDXLQHJT-UHFFFAOYSA-O
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
CID 23277963
(2S)-2-methylpyrrolidin-1-ium
CID 6999701
1,2-dimethylcyclohexane;methane;molecular iodine
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ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
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1,2-dimethylcyclohexane;vanadium
CID 142004480
dichlorotitanium;1,2-dimethylcyclopentane
CID 174468926
1-iodo-2-methylcyclohexane
CID 527569
1,2,3-trimethylcycloheptane
CID 54005509
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
(2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol
CID 11897414

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpiperidin-1-ium?
The IUPAC name of 2,3-dimethylpiperidin-1-ium (CID 78435745) is 2,3-dimethylpiperidin-1-ium.
What is the SMILES notation for 2,3-dimethylpiperidin-1-ium?
The canonical SMILES for 2,3-dimethylpiperidin-1-ium is CC1CCC[NH2+]C1C.
What is the InChIKey of 2,3-dimethylpiperidin-1-ium?
The InChIKey is DRLFSUDDXLQHJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N/c1-6-4-3-5-8-7(6)2/h6-8H,3-5H2,1-2H3/p+1.
What are the key properties of 2,3-dimethylpiperidin-1-ium?
2,3-dimethylpiperidin-1-ium has a molecular weight of 114.21 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpiperidin-1-ium is sourced from PubChem (CID 78435745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).