2-methyl-1-oxidopiperidin-1-ium

C6H13NO — CID 162701445

IUPAC2-methyl-1-oxidopiperidin-1-ium
SMILESCC1CCCC[NH+]1[O-]
InChIInChI=1S/C6H13NO/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3
InChIKeyDWMPMRJHWWJIKI-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.06
Rot. Bonds

About 2-methyl-1-oxidopiperidin-1-ium

2-methyl-1-oxidopiperidin-1-ium (PubChem CID 162701445) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-methyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name2-methyl-1-oxidopiperidin-1-ium
PubChem CID162701445
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-methyl-1-oxidopiperidin-1-ium
SMILESCC1CCCC[NH+]1[O-]
InChIInChI=1S/C6H13NO/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3
InChIKeyDWMPMRJHWWJIKI-UHFFFAOYSA-N
XLogP-0.06
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxidopiperidin-1-ium?
The IUPAC name of 2-methyl-1-oxidopiperidin-1-ium (CID 162701445) is 2-methyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 2-methyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 2-methyl-1-oxidopiperidin-1-ium is CC1CCCC[NH+]1[O-].
What is the InChIKey of 2-methyl-1-oxidopiperidin-1-ium?
The InChIKey is DWMPMRJHWWJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-1-oxidopiperidin-1-ium?
2-methyl-1-oxidopiperidin-1-ium has a molecular weight of 115.18 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 162701445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).