1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone

C9H17NO2 — CID 14043900

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CCO
InChIInChI=1S/C9H17NO2/c1-8(12)10-6-3-2-4-9(10)5-7-11/h9,11H,2-7H2,1H3
InChIKeyDKVTXEYOZRLTNZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds2

About 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone

1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 14043900) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID14043900
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CCO
InChIInChI=1S/C9H17NO2/c1-8(12)10-6-3-2-4-9(10)5-7-11/h9,11H,2-7H2,1H3
InChIKeyDKVTXEYOZRLTNZ-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 14043900) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is DKVTXEYOZRLTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(12)10-6-3-2-4-9(10)5-7-11/h9,11H,2-7H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 171.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14043900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).