3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one

C13H26N2O — CID 63249773

IUPAC3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCNCC1CCCCN1C(=O)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-12(16)15-8-6-5-7-11(15)10-14-4/h11,14H,5-10H2,1-4H3
InChIKeyXXQNNLOYURCAMT-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds3

About 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one

3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one (PubChem CID 63249773) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
PubChem CID63249773
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCNCC1CCCCN1C(=O)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-12(16)15-8-6-5-7-11(15)10-14-4/h11,14H,5-10H2,1-4H3
InChIKeyXXQNNLOYURCAMT-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484577
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 103021432
1-[2-[2-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63249417
(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249081
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276
1-[2-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63249502
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103514142
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one
CID 114028615

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one (CID 63249773) is 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one is CNCC1CCCCN1C(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The InChIKey is XXQNNLOYURCAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)9-12(16)15-8-6-5-7-11(15)10-14-4/h11,14H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one?
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 63249773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).