1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen

C8H19NO2 — CID 143814037

IUPAC1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen
SMILESC.CC(=O)C1CCN(O)CC1.[H][H]
InChIInChI=1S/C7H13NO2.CH4.H2/c1-6(9)7-2-4-8(10)5-3-7;;/h7,10H,2-5H2,1H3;1H4;1H
InChIKeyBBMTYAAXARBJRM-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.56
Rot. Bonds1

About 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen

1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen (PubChem CID 143814037) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen.

Molecular Properties

Compound Name1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen
PubChem CID143814037
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen
SMILESC.CC(=O)C1CCN(O)CC1.[H][H]
InChIInChI=1S/C7H13NO2.CH4.H2/c1-6(9)7-2-4-8(10)5-3-7;;/h7,10H,2-5H2,1H3;1H4;1H
InChIKeyBBMTYAAXARBJRM-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen 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-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen?
The IUPAC name of 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen (CID 143814037) is 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen.
What is the SMILES notation for 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen?
The canonical SMILES for 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen is C.CC(=O)C1CCN(O)CC1.[H][H].
What is the InChIKey of 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen?
The InChIKey is BBMTYAAXARBJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.CH4.H2/c1-6(9)7-2-4-8(10)5-3-7;;/h7,10H,2-5H2,1H3;1H4;1H.
What are the key properties of 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen?
1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen has a molecular weight of 161.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen is sourced from PubChem (CID 143814037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).