2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C16H31N3O — CID 103353089

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCC1CCN(CC(=O)N2CCC(C)CC2)C(CN)C1
InChIInChI=1S/C16H31N3O/c1-3-14-6-9-19(15(10-14)11-17)12-16(20)18-7-4-13(2)5-8-18/h13-15H,3-12,17H2,1-2H3
InChIKeyRQPUTVWLOIMYRF-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds4

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 103353089) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID103353089
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCC1CCN(CC(=O)N2CCC(C)CC2)C(CN)C1
InChIInChI=1S/C16H31N3O/c1-3-14-6-9-19(15(10-14)11-17)12-16(20)18-7-4-13(2)5-8-18/h13-15H,3-12,17H2,1-2H3
InChIKeyRQPUTVWLOIMYRF-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119916049
tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
CID 103353154
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid
CID 103352959
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 103352964
1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide
CID 103442118
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 103352926
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
CID 103352029
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(4-bromophenyl)acetamide
CID 103353106
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79369960
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 103352927

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 103353089) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CCC1CCN(CC(=O)N2CCC(C)CC2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is RQPUTVWLOIMYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-14-6-9-19(15(10-14)11-17)12-16(20)18-7-4-13(2)5-8-18/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103353089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).