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

C6H15ClN2O — CID 88807103

IUPAC6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride
SMILESCC1CCCC(N)[NH+]1[O-].Cl
InChIInChI=1S/C6H14N2O.ClH/c1-5-3-2-4-6(7)8(5)9;/h5-6,8H,2-4,7H2,1H3;1H
InChIKeyMUIWNZAWBNJQME-UHFFFAOYSA-N
MW166.65 g/mol
LogP-0.35
Rot. Bonds

About 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride

6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride (PubChem CID 88807103) has the molecular formula C6H15ClN2O and a molecular weight of 166.65 g/mol. Its IUPAC name is 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride
PubChem CID88807103
Molecular FormulaC6H15ClN2O
Molecular Weight166.65 g/mol
Exact Mass166.09
IUPAC Name6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride
SMILESCC1CCCC(N)[NH+]1[O-].Cl
InChIInChI=1S/C6H14N2O.ClH/c1-5-3-2-4-6(7)8(5)9;/h5-6,8H,2-4,7H2,1H3;1H
InChIKeyMUIWNZAWBNJQME-UHFFFAOYSA-N
XLogP-0.35
TPSA53.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methylpiperidin-2-amine
CID 4868154
2-Methylpiperidin-2-amine
CID 53743239
1-Hydroxy-6-methylpiperidin-2-amine
CID 70620511
1-Hydroxy-6-methylpiperidin-2-amine;hydrochloride
CID 70621182
2-Methyl-1-oxidopiperidin-1-ium;hydrochloride
CID 87152015
2,6-Dimethyl-1-oxidopiperidin-1-ium
CID 87825393
1-Chloro-6-methylpiperidin-2-amine
CID 132190123
N-methylpiperidin-2-amine oxide
CID 139687511
N-methyl-N-(6-methyl-1-oxidopiperidin-1-ium-2-yl)hydroxylamine
CID 140508927
N-piperidin-2-ylhydroxylamine
CID 155204797
2-Methyl-1-oxidopiperidin-1-ium
CID 162701445
2,4,6-Trimethyl-1-oxido-1,3-diazinan-1-ium
CID 163458014

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride?
The IUPAC name of 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride (CID 88807103) is 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride.
What is the SMILES notation for 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride?
The canonical SMILES for 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride is CC1CCCC(N)[NH+]1[O-].Cl.
What is the InChIKey of 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride?
The InChIKey is MUIWNZAWBNJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.ClH/c1-5-3-2-4-6(7)8(5)9;/h5-6,8H,2-4,7H2,1H3;1H.
What are the key properties of 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride?
6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride has a molecular weight of 166.65 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride is sourced from PubChem (CID 88807103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).