1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone

C9H18N2O — CID 115269503

IUPAC1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CC(N)CCC1(C)C
InChIInChI=1S/C9H18N2O/c1-7(12)11-6-8(10)4-5-9(11,2)3/h8H,4-6,10H2,1-3H3
InChIKeyPXFYJFKLNKQNAA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.73
Rot. Bonds

About 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone

1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone (PubChem CID 115269503) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone
PubChem CID115269503
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CC(N)CCC1(C)C
InChIInChI=1S/C9H18N2O/c1-7(12)11-6-8(10)4-5-9(11,2)3/h8H,4-6,10H2,1-3H3
InChIKeyPXFYJFKLNKQNAA-UHFFFAOYSA-N
XLogP0.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone 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 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone (CID 115269503) is 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone is CC(=O)N1CC(N)CCC1(C)C.
What is the InChIKey of 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone?
The InChIKey is PXFYJFKLNKQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(12)11-6-8(10)4-5-9(11,2)3/h8H,4-6,10H2,1-3H3.
What are the key properties of 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone?
1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 115269503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).