2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone

C11H22N2O2 — CID 83625809

IUPAC2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
SMILESCC(C)COC1CCN(C(=O)CN)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-15-10-3-5-13(6-4-10)11(14)7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyQEJLWTJKAFIEQI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone

2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone (PubChem CID 83625809) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
PubChem CID83625809
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
SMILESCC(C)COC1CCN(C(=O)CN)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-15-10-3-5-13(6-4-10)11(14)7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyQEJLWTJKAFIEQI-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone (CID 83625809) is 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone is CC(C)COC1CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
The InChIKey is QEJLWTJKAFIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)8-15-10-3-5-13(6-4-10)11(14)7-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 83625809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).