2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate

C10H21NO3S — CID 88681232

IUPAC2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate
SMILESCC1CCCC(C)N1CCOS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9-5-4-6-10(2)11(9)7-8-14-15(3,12)13/h9-10H,4-8H2,1-3H3
InChIKeySAPDJXCKAXOSGE-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.23
Rot. Bonds4

About 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate

2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate (PubChem CID 88681232) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate
PubChem CID88681232
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate
SMILESCC1CCCC(C)N1CCOS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9-5-4-6-10(2)11(9)7-8-14-15(3,12)13/h9-10H,4-8H2,1-3H3
InChIKeySAPDJXCKAXOSGE-UHFFFAOYSA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Methanesulfonic Acid 3-piperidin-1-yl-propyl ester
CID 54537902
2-(3-Fluoropiperidin-1-yl)ethyl methanesulfonate
CID 147354686
2-[(3S)-3-fluoropiperidin-1-yl]ethyl methanesulfonate
CID 156310210
2-Piperidin-1-ylethyl ethanesulfonate
CID 18673395
3-[Cyclohexyl(methyl)amino]propyl methanesulfonate
CID 20143090
2-Piperidin-1-ylethyl methanesulfonate
CID 44626921
(1-Methylpiperidin-2-yl)methyl methanesulfonate
CID 44627021
[(2S)-1-methylpiperidin-2-yl]methyl methanesulfonate
CID 59556510
Methanesulfonic acid 1-isopropyl-piperidin-4-yl ester
CID 86601897
2-(2,6-Dimethylpiperidin-1-yl)ethanol;methanesulfonic acid
CID 88681230
Ethyl sulfate;1,1,2-triethylpiperidin-1-ium
CID 122621519
1,1-Diethyl-2,6-dimethylpiperidin-1-ium;ethyl sulfate
CID 122641850

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate (CID 88681232) is 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate is CC1CCCC(C)N1CCOS(C)(=O)=O.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate?
The InChIKey is SAPDJXCKAXOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9-5-4-6-10(2)11(9)7-8-14-15(3,12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate?
2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate has a molecular weight of 235.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)ethyl methanesulfonate is sourced from PubChem (CID 88681232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).