1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone

C8H16N2O2 — CID 24691079

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(O)CC1
InChIInChI=1S/C8H16N2O2/c1-9-6-8(12)10-4-2-7(11)3-5-10/h7,9,11H,2-6H2,1H3
InChIKeyRTLYKDWTLXRDJX-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.81
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone

1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone (PubChem CID 24691079) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone
PubChem CID24691079
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(O)CC1
InChIInChI=1S/C8H16N2O2/c1-9-6-8(12)10-4-2-7(11)3-5-10/h7,9,11H,2-6H2,1H3
InChIKeyRTLYKDWTLXRDJX-UHFFFAOYSA-N
XLogP-0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone (CID 24691079) is 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone is CNCC(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone?
The InChIKey is RTLYKDWTLXRDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-6-8(12)10-4-2-7(11)3-5-10/h7,9,11H,2-6H2,1H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone has a molecular weight of 172.23 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 24691079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).