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

C10H20N2O2 — CID 16784530

IUPAC3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCCC1CCO
InChIInChI=1S/C10H20N2O2/c11-6-4-10(14)12-7-2-1-3-9(12)5-8-13/h9,13H,1-8,11H2
InChIKeyBLLLUXNWEQTOMV-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds4

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

3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 16784530) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID16784530
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCCC1CCO
InChIInChI=1S/C10H20N2O2/c11-6-4-10(14)12-7-2-1-3-9(12)5-8-13/h9,13H,1-8,11H2
InChIKeyBLLLUXNWEQTOMV-UHFFFAOYSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 16784530) is 3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is NCCC(=O)N1CCCCC1CCO.
What is the InChIKey of 3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is BLLLUXNWEQTOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-6-4-10(14)12-7-2-1-3-9(12)5-8-13/h9,13H,1-8,11H2.
What are the key properties of 3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 16784530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).