1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone

C12H24N2O2 — CID 56828369

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
SMILESCC1CCCC(C)N1C(=O)CN(C)CCO
InChIInChI=1S/C12H24N2O2/c1-10-5-4-6-11(2)14(10)12(16)9-13(3)7-8-15/h10-11,15H,4-9H2,1-3H3
InChIKeyNOHTYVPKQUGVIS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.70
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone (PubChem CID 56828369) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
PubChem CID56828369
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
SMILESCC1CCCC(C)N1C(=O)CN(C)CCO
InChIInChI=1S/C12H24N2O2/c1-10-5-4-6-11(2)14(10)12(16)9-13(3)7-8-15/h10-11,15H,4-9H2,1-3H3
InChIKeyNOHTYVPKQUGVIS-UHFFFAOYSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone (CID 56828369) is 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone is CC1CCCC(C)N1C(=O)CN(C)CCO.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
The InChIKey is NOHTYVPKQUGVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-5-4-6-11(2)14(10)12(16)9-13(3)7-8-15/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone is sourced from PubChem (CID 56828369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).