1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one

C12H24N2O — CID 129494683

IUPAC1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCC[C@H](CN)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(15)9-14-6-4-5-10(7-13)8-14/h10H,4-9,13H2,1-3H3/t10-/m1/s1
InChIKeyZFOOXYIODGZOBT-SNVBAGLBSA-N
MW212.34 g/mol
LogP1.27
Rot. Bonds3

About 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one

1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one (PubChem CID 129494683) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
PubChem CID129494683
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCC[C@H](CN)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(15)9-14-6-4-5-10(7-13)8-14/h10H,4-9,13H2,1-3H3/t10-/m1/s1
InChIKeyZFOOXYIODGZOBT-SNVBAGLBSA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 61488497
2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119915605
[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
CID 84664103
3,3-dimethyl-1-(4-methylazepan-1-yl)butan-2-one
CID 63622621
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one
CID 121200108
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
tert-butyl (2R)-2-[[3-(aminomethyl)piperidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 66940498

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one (CID 129494683) is 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN1CCC[C@H](CN)C1.
What is the InChIKey of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one?
The InChIKey is ZFOOXYIODGZOBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)11(15)9-14-6-4-5-10(7-13)8-14/h10H,4-9,13H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one?
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 129494683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).