6-(methylaminomethyl)piperidin-2-one;dihydrobromide

C7H16Br2N2O — CID 138059127

IUPAC6-(methylaminomethyl)piperidin-2-one;dihydrobromide
SMILESBr.Br.CNCC1CCCC(=O)N1
InChIInChI=1S/C7H14N2O.2BrH/c1-8-5-6-3-2-4-7(10)9-6;;/h6,8H,2-5H2,1H3,(H,9,10);2*1H
InChIKeyXRBSSSQWLLPRHH-UHFFFAOYSA-N
MW304.03 g/mol
LogP1.03
Rot. Bonds2

About 6-(methylaminomethyl)piperidin-2-one;dihydrobromide

6-(methylaminomethyl)piperidin-2-one;dihydrobromide (PubChem CID 138059127) has the molecular formula C7H16Br2N2O and a molecular weight of 304.03 g/mol. Its IUPAC name is 6-(methylaminomethyl)piperidin-2-one;dihydrobromide.

Molecular Properties

Compound Name6-(methylaminomethyl)piperidin-2-one;dihydrobromide
PubChem CID138059127
Molecular FormulaC7H16Br2N2O
Molecular Weight304.03 g/mol
Exact Mass301.96
IUPAC Name6-(methylaminomethyl)piperidin-2-one;dihydrobromide
SMILESBr.Br.CNCC1CCCC(=O)N1
InChIInChI=1S/C7H14N2O.2BrH/c1-8-5-6-3-2-4-7(10)9-6;;/h6,8H,2-5H2,1H3,(H,9,10);2*1H
InChIKeyXRBSSSQWLLPRHH-UHFFFAOYSA-N
XLogP1.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.03
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-aminopiperidin-2-one
CID 7200369
3-Amino-2-piperidone
CID 5200225
6-Methylpiperidin-2-one
CID 20905
(R)-3-Aminopiperidine-2-one
CID 7200371
5-Aminopiperidin-2-one
CID 18451415
N-methylpiperidine-2-carboxamide
CID 9989361
6-(Aminomethyl)piperidin-2-one
CID 14342629
2-Amino-1-piperidin-1-yl-hexan-1-one
CID 44364102
(3S,6S)-3-Butyl-6-methylpiperazine-2,5-dione
CID 89835123
1-Hexanoylpiperazine
CID 3248922
(5S)-5-Amino-2-piperidinone
CID 10942387
6-Ethylpiperidin-2-one
CID 15889348

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)piperidin-2-one;dihydrobromide?
The IUPAC name of 6-(methylaminomethyl)piperidin-2-one;dihydrobromide (CID 138059127) is 6-(methylaminomethyl)piperidin-2-one;dihydrobromide.
What is the SMILES notation for 6-(methylaminomethyl)piperidin-2-one;dihydrobromide?
The canonical SMILES for 6-(methylaminomethyl)piperidin-2-one;dihydrobromide is Br.Br.CNCC1CCCC(=O)N1.
What is the InChIKey of 6-(methylaminomethyl)piperidin-2-one;dihydrobromide?
The InChIKey is XRBSSSQWLLPRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2BrH/c1-8-5-6-3-2-4-7(10)9-6;;/h6,8H,2-5H2,1H3,(H,9,10);2*1H.
What are the key properties of 6-(methylaminomethyl)piperidin-2-one;dihydrobromide?
6-(methylaminomethyl)piperidin-2-one;dihydrobromide has a molecular weight of 304.03 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)piperidin-2-one;dihydrobromide is sourced from PubChem (CID 138059127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).