3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine

C13H29N3O2 — CID 103178059

IUPAC3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
SMILESCOCCCOCCN1CCN(CCCN)CC1
InChIInChI=1S/C13H29N3O2/c1-17-11-3-12-18-13-10-16-8-6-15(7-9-16)5-2-4-14/h2-14H2,1H3
InChIKeyWULAYCVZTSQCRA-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.01
Rot. Bonds10

About 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine

3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine (PubChem CID 103178059) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
PubChem CID103178059
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
SMILESCOCCCOCCN1CCN(CCCN)CC1
InChIInChI=1S/C13H29N3O2/c1-17-11-3-12-18-13-10-16-8-6-15(7-9-16)5-2-4-14/h2-14H2,1H3
InChIKeyWULAYCVZTSQCRA-UHFFFAOYSA-N
XLogP0.01
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
CID 170951585
1-(2-chloroethyl)-4-[2-(3-methoxypropoxy)ethyl]-1,4-diazepane
CID 103183952
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine
CID 103409181
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
CID 103184107
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
CID 103179796
1,4-bis(2-methoxyethoxy)butane;1,4-bis(2-methoxyethyl)piperazine;1,4-dimethylpiperazine;1-(4-methoxybutyl)-4-methylpiperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;1-[3-(2-methoxyethoxy)propyl]-4-methylpiperazine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(6-methoxyhexyl)-4-methylpiperazine);1-methoxy-5-(4-methoxybutoxy)pentane;1-methoxy-4-[2-(2-methoxyethoxy)ethoxy]butane;1-methoxy-7-(2-methoxyethoxy)heptane;1-methoxy-6-(3-methoxypropoxy)hexane;1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperazine;1-(3-methoxypropyl)-4-methylpiperazine;1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 158374038
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 61483102

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine (CID 103178059) is 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine is COCCCOCCN1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine?
The InChIKey is WULAYCVZTSQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-17-11-3-12-18-13-10-16-8-6-15(7-9-16)5-2-4-14/h2-14H2,1H3.
What are the key properties of 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine?
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 0.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 103178059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).