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

C14H28N2O — CID 115270808

IUPAC3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCNCC1(C)CCCCN1C(=O)CC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-13(2,3)10-12(17)16-9-7-6-8-14(16,4)11-15-5/h15H,6-11H2,1-5H3
InChIKeyDZAUUCSFMSMPRD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds3

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

3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one (PubChem CID 115270808) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
PubChem CID115270808
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCNCC1(C)CCCCN1C(=O)CC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-13(2,3)10-12(17)16-9-7-6-8-14(16,4)11-15-5/h15H,6-11H2,1-5H3
InChIKeyDZAUUCSFMSMPRD-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one (CID 115270808) is 3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one is CNCC1(C)CCCCN1C(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The InChIKey is DZAUUCSFMSMPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2,3)10-12(17)16-9-7-6-8-14(16,4)11-15-5/h15H,6-11H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one?
3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 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-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 115270808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).