1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one

C10H19NO2 — CID 58959831

IUPAC1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C10H19NO2/c1-8(12)9(13)11-6-4-10(2,3)5-7-11/h8,12H,4-7H2,1-3H3
InChIKeyFLSCHZVICWZQEV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds1

About 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one

1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one (PubChem CID 58959831) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
PubChem CID58959831
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C10H19NO2/c1-8(12)9(13)11-6-4-10(2,3)5-7-11/h8,12H,4-7H2,1-3H3
InChIKeyFLSCHZVICWZQEV-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one (CID 58959831) is 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one is CC(O)C(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is FLSCHZVICWZQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(12)9(13)11-6-4-10(2,3)5-7-11/h8,12H,4-7H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one?
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 58959831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).