2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide

C13H27N3O2 — CID 103352926

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCC1CCN(CC(=O)NCCOC)C(CN)C1
InChIInChI=1S/C13H27N3O2/c1-3-11-4-6-16(12(8-11)9-14)10-13(17)15-5-7-18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyVZUCBVWJPUQDLJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds7

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 103352926) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID103352926
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCC1CCN(CC(=O)NCCOC)C(CN)C1
InChIInChI=1S/C13H27N3O2/c1-3-11-4-6-16(12(8-11)9-14)10-13(17)15-5-7-18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyVZUCBVWJPUQDLJ-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 103353150
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 103352927
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 103352964
tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
CID 103353154
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(4-bromophenyl)acetamide
CID 103353106
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60684865
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide
CID 103353042
N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 103353103
N-(2-methoxyethyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546583
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 103353089
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 103352926) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide is CCC1CCN(CC(=O)NCCOC)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is VZUCBVWJPUQDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-11-4-6-16(12(8-11)9-14)10-13(17)15-5-7-18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 103352926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).