2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone

C9H18N2O2 — CID 20607203

IUPAC2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)COC)CC1
InChIInChI=1S/C9H18N2O2/c1-10-8-3-5-11(6-4-8)9(12)7-13-2/h8,10H,3-7H2,1-2H3
InChIKeyKXHFJYHSZDIYAR-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone

2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 20607203) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone
PubChem CID20607203
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)COC)CC1
InChIInChI=1S/C9H18N2O2/c1-10-8-3-5-11(6-4-8)9(12)7-13-2/h8,10H,3-7H2,1-2H3
InChIKeyKXHFJYHSZDIYAR-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone (CID 20607203) is 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone is CNC1CCN(C(=O)COC)CC1.
What is the InChIKey of 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is KXHFJYHSZDIYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-8-3-5-11(6-4-8)9(12)7-13-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 20607203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).