[4-(2-methoxyethyl)piperazin-1-yl]methanamine

C8H19N3O — CID 146312052

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]methanamine
SMILESCOCCN1CCN(CN)CC1
InChIInChI=1S/C8H19N3O/c1-12-7-6-10-2-4-11(8-9)5-3-10/h2-9H2,1H3
InChIKeyNLVRUEYRQNVKAB-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.83
Rot. Bonds4

About [4-(2-methoxyethyl)piperazin-1-yl]methanamine

[4-(2-methoxyethyl)piperazin-1-yl]methanamine (PubChem CID 146312052) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]methanamine
PubChem CID146312052
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]methanamine
SMILESCOCCN1CCN(CN)CC1
InChIInChI=1S/C8H19N3O/c1-12-7-6-10-2-4-11(8-9)5-3-10/h2-9H2,1H3
InChIKeyNLVRUEYRQNVKAB-UHFFFAOYSA-N
XLogP-0.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)azocane
CID 47014834
1-(2-methoxyethyl)-4-propyl-1,4-diazepane
CID 157028655
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
CID 94254427
3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
CID 170951585
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane
CID 57077875
1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride
CID 66545499
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
ethane;1-(2-methoxyethyl)-4-methylpiperazine;methylcyclopropane
CID 144800701

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]methanamine?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]methanamine (CID 146312052) is [4-(2-methoxyethyl)piperazin-1-yl]methanamine.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]methanamine?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]methanamine is COCCN1CCN(CN)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]methanamine?
The InChIKey is NLVRUEYRQNVKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-12-7-6-10-2-4-11(8-9)5-3-10/h2-9H2,1H3.
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]methanamine?
[4-(2-methoxyethyl)piperazin-1-yl]methanamine has a molecular weight of 173.26 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]methanamine is sourced from PubChem (CID 146312052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).