methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate

C14H28N2O2 — CID 55062051

IUPACmethyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCNC(C)(CCN1CCC(C)CC1C)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-11-6-8-16(12(2)10-11)9-7-14(3,15-4)13(17)18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyJYFKETCUSGKBKZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds5

About methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate

methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate (PubChem CID 55062051) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
PubChem CID55062051
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCNC(C)(CCN1CCC(C)CC1C)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-11-6-8-16(12(2)10-11)9-7-14(3,15-4)13(17)18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyJYFKETCUSGKBKZ-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate (CID 55062051) is methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate is CNC(C)(CCN1CCC(C)CC1C)C(=O)OC.
What is the InChIKey of methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The InChIKey is JYFKETCUSGKBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-6-8-16(12(2)10-11)9-7-14(3,15-4)13(17)18-5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 55062051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).