2-amino-1-(4-ethoxypiperidin-1-yl)ethanone

C9H18N2O2 — CID 61217553

IUPAC2-amino-1-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(C(=O)CN)CC1
InChIInChI=1S/C9H18N2O2/c1-2-13-8-3-5-11(6-4-8)9(12)7-10/h8H,2-7,10H2,1H3
InChIKeyQMGIKPUXBXGZEJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds3

About 2-amino-1-(4-ethoxypiperidin-1-yl)ethanone

2-amino-1-(4-ethoxypiperidin-1-yl)ethanone (PubChem CID 61217553) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-1-(4-ethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-ethoxypiperidin-1-yl)ethanone
PubChem CID61217553
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-1-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(C(=O)CN)CC1
InChIInChI=1S/C9H18N2O2/c1-2-13-8-3-5-11(6-4-8)9(12)7-10/h8H,2-7,10H2,1H3
InChIKeyQMGIKPUXBXGZEJ-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 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 ≤ 5-0.03
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-ethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(4-ethoxypiperidin-1-yl)ethanone (CID 61217553) is 2-amino-1-(4-ethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-ethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-ethoxypiperidin-1-yl)ethanone is CCOC1CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-(4-ethoxypiperidin-1-yl)ethanone?
The InChIKey is QMGIKPUXBXGZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-13-8-3-5-11(6-4-8)9(12)7-10/h8H,2-7,10H2,1H3.
What are the key properties of 2-amino-1-(4-ethoxypiperidin-1-yl)ethanone?
2-amino-1-(4-ethoxypiperidin-1-yl)ethanone has a molecular weight of 186.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 61217553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).