1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C12H24N2O — CID 44784895

IUPAC1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(CCN)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9,13H2,1-3H3
InChIKeyHRNKSMLMHBPKNE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds2

About 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 44784895) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID44784895
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(CCN)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9,13H2,1-3H3
InChIKeyHRNKSMLMHBPKNE-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-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

Related Compounds

1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 63766130
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 129276778
tert-butyl 3-(2-aminoethyl)azepane-1-carboxylate
CID 83488042
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
1-[3-(2-aminoethyl)piperidin-1-yl]but-2-en-1-one
CID 77015507
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
1-[4-(2-hydroxyethyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 155951870
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 44784895) is 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC(CCN)C1.
What is the InChIKey of 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is HRNKSMLMHBPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9,13H2,1-3H3.
What are the key properties of 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 44784895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).