1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone

C11H22N2O2 — CID 112701233

IUPAC1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCC(CN)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)15-8-11(14)13-5-3-4-10(6-12)7-13/h9-10H,3-8,12H2,1-2H3
InChIKeyBLBMDBKEVDESQY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone

1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 112701233) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID112701233
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCC(CN)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)15-8-11(14)13-5-3-4-10(6-12)7-13/h9-10H,3-8,12H2,1-2H3
InChIKeyBLBMDBKEVDESQY-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone 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-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone (CID 112701233) is 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCCC(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is BLBMDBKEVDESQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)15-8-11(14)13-5-3-4-10(6-12)7-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 112701233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).