1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone

C9H18N2O — CID 178047336

IUPAC1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(CN)CCN(C)CC1
InChIInChI=1S/C9H18N2O/c1-8(12)9(7-10)3-5-11(2)6-4-9/h3-7,10H2,1-2H3
InChIKeyZJAWNSGJKMYGID-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.25
Rot. Bonds2

About 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone

1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone (PubChem CID 178047336) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone
PubChem CID178047336
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(CN)CCN(C)CC1
InChIInChI=1S/C9H18N2O/c1-8(12)9(7-10)3-5-11(2)6-4-9/h3-7,10H2,1-2H3
InChIKeyZJAWNSGJKMYGID-UHFFFAOYSA-N
XLogP0.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)-1-methylpiperidin-4-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

Related Compounds

1-[1-(aminomethyl)cyclopentyl]ethanone;hydrochloride
CID 86775853
1-[3-(aminomethyl)oxetan-3-yl]ethanone
CID 116922670
4-ethyl-1-methylpiperidine-4-carbohydrazide
CID 116844617
4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
CID 83816581
1-(4-amino-1-methylazepan-4-yl)propan-2-one
CID 115016769
1-methyl-4-(2-oxopropyl)azepane-4-carboxylic acid
CID 115028358
4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
CID 83907010
1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone
CID 83225181
1-[1-methyl-4-(methylamino)piperidin-4-yl]ethanone
CID 121279965
[4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid
CID 54091761
4-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 107163980
2-(4-amino-1-methylazepan-4-yl)acetamide
CID 83846985

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone (CID 178047336) is 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone is CC(=O)C1(CN)CCN(C)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone?
The InChIKey is ZJAWNSGJKMYGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(12)9(7-10)3-5-11(2)6-4-9/h3-7,10H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone?
1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone is sourced from PubChem (CID 178047336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).