1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one

C11H22N2O — CID 107160042

IUPAC1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C)(CN)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)10(14)13-6-4-11(3,8-12)5-7-13/h9H,4-8,12H2,1-3H3
InChIKeyOYTMBDXEBSLKRU-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds2

About 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one

1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 107160042) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID107160042
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C)(CN)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)10(14)13-6-4-11(3,8-12)5-7-13/h9H,4-8,12H2,1-3H3
InChIKeyOYTMBDXEBSLKRU-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-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-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one
CID 107159961
1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
CID 130891514
1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115452797
[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 107160172
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one
CID 120804705
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
CID 114226111
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one (CID 107160042) is 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(C)(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is OYTMBDXEBSLKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)10(14)13-6-4-11(3,8-12)5-7-13/h9H,4-8,12H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 107160042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).