[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine

C12H26N2O2 — CID 107160604

IUPAC[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
SMILESCOCCOCCN1CCC(C)(CN)CC1
InChIInChI=1S/C12H26N2O2/c1-12(11-13)3-5-14(6-4-12)7-8-16-10-9-15-2/h3-11,13H2,1-2H3
InChIKeyIJUUACGSZLZZMV-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.71
Rot. Bonds7

About [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine

[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 107160604) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
PubChem CID107160604
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
SMILESCOCCOCCN1CCC(C)(CN)CC1
InChIInChI=1S/C12H26N2O2/c1-12(11-13)3-5-14(6-4-12)7-8-16-10-9-15-2/h3-11,13H2,1-2H3
InChIKeyIJUUACGSZLZZMV-UHFFFAOYSA-N
XLogP0.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine
CID 107160532
[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
CID 107160540
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 79885602
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
CID 107161954
4-(ethoxymethyl)-1-(2-methoxyethyl)-4-methylpiperidine
CID 90227649
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]propanamide
CID 107160625
1-[3-(2-methoxyethoxy)propyl]-4-methylazepan-4-ol
CID 107408407
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120771836
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine (CID 107160604) is [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine is COCCOCCN1CCC(C)(CN)CC1.
What is the InChIKey of [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is IJUUACGSZLZZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(11-13)3-5-14(6-4-12)7-8-16-10-9-15-2/h3-11,13H2,1-2H3.
What are the key properties of [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine?
[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 230.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 107160604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).