[4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine

C13H28N2O — CID 103353150

IUPAC[4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(CCCCOC)C(CN)C1
InChIInChI=1S/C13H28N2O/c1-3-12-6-8-15(13(10-12)11-14)7-4-5-9-16-2/h12-13H,3-11,14H2,1-2H3
InChIKeyIWVBLUWFXBNPRJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds7

About [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine

[4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine (PubChem CID 103353150) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine
PubChem CID103353150
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name[4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(CCCCOC)C(CN)C1
InChIInChI=1S/C13H28N2O/c1-3-12-6-8-15(13(10-12)11-14)7-4-5-9-16-2/h12-13H,3-11,14H2,1-2H3
InChIKeyIWVBLUWFXBNPRJ-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]methanamine
CID 103353261
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 103352926
[4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 103353076
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
[4-ethyl-1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 103352976
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid
CID 103352959
tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
CID 103353154
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol
CID 103353189
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 103352964
(1-butyl-4-methylpiperidin-2-yl)methanamine
CID 63839555

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine (CID 103353150) is [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine is CCC1CCN(CCCCOC)C(CN)C1.
What is the InChIKey of [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine?
The InChIKey is IWVBLUWFXBNPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-12-6-8-15(13(10-12)11-14)7-4-5-9-16-2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine?
[4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103353150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).