2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one

C10H19NO2 — CID 103429254

IUPAC2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)C(C)(C)O
InChIInChI=1S/C10H19NO2/c1-8-6-4-5-7-11(8)9(12)10(2,3)13/h8,13H,4-7H2,1-3H3
InChIKeyAVZWPOPXUKJNNE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds1

About 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one

2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 103429254) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID103429254
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)C(C)(C)O
InChIInChI=1S/C10H19NO2/c1-8-6-4-5-7-11(8)9(12)10(2,3)13/h8,13H,4-7H2,1-3H3
InChIKeyAVZWPOPXUKJNNE-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one (CID 103429254) is 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1C(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is AVZWPOPXUKJNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-6-4-5-7-11(8)9(12)10(2,3)13/h8,13H,4-7H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one?
2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 103429254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).