2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone

C16H31N3O — CID 114961096

IUPAC2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2C(C)CCCC2C)CC1CN
InChIInChI=1S/C16H31N3O/c1-12-7-8-18(10-15(12)9-17)11-16(20)19-13(2)5-4-6-14(19)3/h12-15H,4-11,17H2,1-3H3
InChIKeyZNWDXTOBYHTRPO-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds3

About 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 114961096) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID114961096
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2C(C)CCCC2C)CC1CN
InChIInChI=1S/C16H31N3O/c1-12-7-8-18(10-15(12)9-17)11-16(20)19-13(2)5-4-6-14(19)3/h12-15H,4-11,17H2,1-3H3
InChIKeyZNWDXTOBYHTRPO-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119927631
methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730611
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114876490
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 114960951
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
CID 94513032
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 120774690
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 134038724
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 114961027
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
CID 95271011

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 114961096) is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)N2C(C)CCCC2C)CC1CN.
What is the InChIKey of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is ZNWDXTOBYHTRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-7-8-18(10-15(12)9-17)11-16(20)19-13(2)5-4-6-14(19)3/h12-15H,4-11,17H2,1-3H3.
What are the key properties of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114961096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).