3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one

C13H26N2O2 — CID 45246513

IUPAC3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCN(C)CC1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-12(2,3)9-15-8-6-7-13(17,11(15)16)10-14(4)5/h17H,6-10H2,1-5H3
InChIKeyMZPSSWFPFPNDCB-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.95
Rot. Bonds3

About 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one

3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (PubChem CID 45246513) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
PubChem CID45246513
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCN(C)CC1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-12(2,3)9-15-8-6-7-13(17,11(15)16)10-14(4)5/h17H,6-10H2,1-5H3
InChIKeyMZPSSWFPFPNDCB-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The IUPAC name of 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (CID 45246513) is 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is CN(C)CC1(O)CCCN(CC(C)(C)C)C1=O.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The InChIKey is MZPSSWFPFPNDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)9-15-8-6-7-13(17,11(15)16)10-14(4)5/h17H,6-10H2,1-5H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one has a molecular weight of 242.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45246513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).