[(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate

C11H22N2O2 — CID 175406247

IUPAC[(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate
SMILESCC1(NOC(=O)C(C)(C)C)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)9(14)15-13-11(4)5-7-12-8-6-11/h12-13H,5-8H2,1-4H3
InChIKeyXSDFHIYJHMLDPM-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.22
Rot. Bonds2

About [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate

[(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate (PubChem CID 175406247) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate
PubChem CID175406247
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate
SMILESCC1(NOC(=O)C(C)(C)C)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)9(14)15-13-11(4)5-7-12-8-6-11/h12-13H,5-8H2,1-4H3
InChIKeyXSDFHIYJHMLDPM-UHFFFAOYSA-N
XLogP1.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate?
The IUPAC name of [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate (CID 175406247) is [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate?
The canonical SMILES for [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate is CC1(NOC(=O)C(C)(C)C)CCNCC1.
What is the InChIKey of [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate?
The InChIKey is XSDFHIYJHMLDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)9(14)15-13-11(4)5-7-12-8-6-11/h12-13H,5-8H2,1-4H3.
What are the key properties of [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate?
[(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate has a molecular weight of 214.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 175406247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).