1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one

C11H22N2O2 — CID 103017160

IUPAC1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCC(N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,15-3)7-10(14)13-6-4-5-9(12)8-13/h9H,4-8,12H2,1-3H3
InChIKeyYFRGUAFMXIJIAE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one

1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one (PubChem CID 103017160) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
PubChem CID103017160
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCC(N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,15-3)7-10(14)13-6-4-5-9(12)8-13/h9H,4-8,12H2,1-3H3
InChIKeyYFRGUAFMXIJIAE-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103021399
2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813693
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 64683995
3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 103018528
3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701839
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one (CID 103017160) is 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one is COC(C)(C)CC(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The InChIKey is YFRGUAFMXIJIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,15-3)7-10(14)13-6-4-5-9(12)8-13/h9H,4-8,12H2,1-3H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 103017160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).