2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one

C12H23NO2 — CID 58171907

IUPAC2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one
SMILESCC(C)(C)C(CO)C(=O)N1CCCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)10(9-14)11(15)13-7-5-4-6-8-13/h10,14H,4-9H2,1-3H3
InChIKeyNDQYRPJCMBFINQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.65
Rot. Bonds2

About 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one

2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one (PubChem CID 58171907) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one
PubChem CID58171907
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one
SMILESCC(C)(C)C(CO)C(=O)N1CCCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)10(9-14)11(15)13-7-5-4-6-8-13/h10,14H,4-9H2,1-3H3
InChIKeyNDQYRPJCMBFINQ-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one (CID 58171907) is 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one is CC(C)(C)C(CO)C(=O)N1CCCCC1.
What is the InChIKey of 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one?
The InChIKey is NDQYRPJCMBFINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)10(9-14)11(15)13-7-5-4-6-8-13/h10,14H,4-9H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one?
2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 58171907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).