2-methyl-1-oxidopiperidin-1-ium;hydrochloride

C6H14ClNO — CID 87152015

IUPAC2-methyl-1-oxidopiperidin-1-ium;hydrochloride
SMILESCC1CCCC[NH+]1[O-].Cl
InChIInChI=1S/C6H13NO.ClH/c1-6-4-2-3-5-7(6)8;/h6-7H,2-5H2,1H3;1H
InChIKeyGZVWRFOVEAFKAZ-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.36
Rot. Bonds

About 2-methyl-1-oxidopiperidin-1-ium;hydrochloride

2-methyl-1-oxidopiperidin-1-ium;hydrochloride (PubChem CID 87152015) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 2-methyl-1-oxidopiperidin-1-ium;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-oxidopiperidin-1-ium;hydrochloride
PubChem CID87152015
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name2-methyl-1-oxidopiperidin-1-ium;hydrochloride
SMILESCC1CCCC[NH+]1[O-].Cl
InChIInChI=1S/C6H13NO.ClH/c1-6-4-2-3-5-7(6)8;/h6-7H,2-5H2,1H3;1H
InChIKeyGZVWRFOVEAFKAZ-UHFFFAOYSA-N
XLogP0.36
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.36
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;hydrochloride?
The IUPAC name of 2-methyl-1-oxidopiperidin-1-ium;hydrochloride (CID 87152015) is 2-methyl-1-oxidopiperidin-1-ium;hydrochloride.
What is the SMILES notation for 2-methyl-1-oxidopiperidin-1-ium;hydrochloride?
The canonical SMILES for 2-methyl-1-oxidopiperidin-1-ium;hydrochloride is CC1CCCC[NH+]1[O-].Cl.
What is the InChIKey of 2-methyl-1-oxidopiperidin-1-ium;hydrochloride?
The InChIKey is GZVWRFOVEAFKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6-4-2-3-5-7(6)8;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-1-oxidopiperidin-1-ium;hydrochloride?
2-methyl-1-oxidopiperidin-1-ium;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.36, 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;hydrochloride is sourced from PubChem (CID 87152015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).