2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one

C14H28N2O — CID 119543962

IUPAC2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCNCC1CCN(C(=O)C(C)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11(14(2,3)4)13(17)16-8-6-12(7-9-16)10-15-5/h11-12,15H,6-10H2,1-5H3
InChIKeyBJRCRTVOJYCCII-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.13
Rot. Bonds3

About 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one

2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one (PubChem CID 119543962) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
PubChem CID119543962
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCNCC1CCN(C(=O)C(C)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11(14(2,3)4)13(17)16-8-6-12(7-9-16)10-15-5/h11-12,15H,6-10H2,1-5H3
InChIKeyBJRCRTVOJYCCII-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one
CID 119374050
3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119544189
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119545230
2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119544267
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 119484473
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119544266
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
2-butoxy-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546364
2,3,3-trimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 77436471
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one (CID 119543962) is 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one is CNCC1CCN(C(=O)C(C)C(C)(C)C)CC1.
What is the InChIKey of 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The InChIKey is BJRCRTVOJYCCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(14(2,3)4)13(17)16-8-6-12(7-9-16)10-15-5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one?
2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119543962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).