1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one

C10H20N2O — CID 25219402

IUPAC1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC(N)C1
InChIInChI=1S/C10H20N2O/c1-8(2)6-10(13)12-5-3-4-9(11)7-12/h8-9H,3-7,11H2,1-2H3
InChIKeyTZKNDZVHVOCMQJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one

1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 25219402) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one
PubChem CID25219402
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC(N)C1
InChIInChI=1S/C10H20N2O/c1-8(2)6-10(13)12-5-3-4-9(11)7-12/h8-9H,3-7,11H2,1-2H3
InChIKeyTZKNDZVHVOCMQJ-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopiperidin-1-yl)-3-methylbutan-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 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one (CID 25219402) is 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is TZKNDZVHVOCMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)6-10(13)12-5-3-4-9(11)7-12/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one?
1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 25219402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).