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

C8H15NO2 — CID 14043897

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CO
InChIInChI=1S/C8H15NO2/c1-7(11)9-5-3-2-4-8(9)6-10/h8,10H,2-6H2,1H3
InChIKeyFJMSUFXIECAXGE-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.38
Rot. Bonds1

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

1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 14043897) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID14043897
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CO
InChIInChI=1S/C8H15NO2/c1-7(11)9-5-3-2-4-8(9)6-10/h8,10H,2-6H2,1H3
InChIKeyFJMSUFXIECAXGE-UHFFFAOYSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 14043897) is 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is FJMSUFXIECAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(11)9-5-3-2-4-8(9)6-10/h8,10H,2-6H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
1-[2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14043897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).