3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one

C11H22N2O2 — CID 129323138

IUPAC3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCOC[C@@H]1CCCCN1C(=O)CCN
InChIInChI=1S/C11H22N2O2/c1-2-15-9-10-5-3-4-8-13(10)11(14)6-7-12/h10H,2-9,12H2,1H3/t10-/m0/s1
InChIKeyZYEZZXCJHGPDAK-JTQLQIEISA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one

3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 129323138) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID129323138
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCOC[C@@H]1CCCCN1C(=O)CCN
InChIInChI=1S/C11H22N2O2/c1-2-15-9-10-5-3-4-8-13(10)11(14)6-7-12/h10H,2-9,12H2,1H3/t10-/m0/s1
InChIKeyZYEZZXCJHGPDAK-JTQLQIEISA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129323090
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
ethane;1-[2-(ethoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 156738237
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119334196
ethane;16-[2-(ethoxymethyl)pyrrolidin-1-yl]-16-oxohexadecanoic acid
CID 156738231
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129323089
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 83620444
4-ethoxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116635896
1-[2-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63395100

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one (CID 129323138) is 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one is CCOC[C@@H]1CCCCN1C(=O)CCN.
What is the InChIKey of 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is ZYEZZXCJHGPDAK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-15-9-10-5-3-4-8-13(10)11(14)6-7-12/h10H,2-9,12H2,1H3/t10-/m0/s1.
What are the key properties of 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one?
3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129323138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).