2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine

C15H25N3O2 — CID 79479255

IUPAC2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
SMILESCOc1cccc(N2CCN(CCOCCN)CC2)c1
InChIInChI=1S/C15H25N3O2/c1-19-15-4-2-3-14(13-15)18-8-6-17(7-9-18)10-12-20-11-5-16/h2-4,13H,5-12,16H2,1H3
InChIKeyOARCCTRLHWZVDC-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.79
Rot. Bonds7

About 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine

2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine (PubChem CID 79479255) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
PubChem CID79479255
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
SMILESCOc1cccc(N2CCN(CCOCCN)CC2)c1
InChIInChI=1S/C15H25N3O2/c1-19-15-4-2-3-14(13-15)18-8-6-17(7-9-18)10-12-20-11-5-16/h2-4,13H,5-12,16H2,1H3
InChIKeyOARCCTRLHWZVDC-UHFFFAOYSA-N
XLogP0.79
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.79
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-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate
CID 15572537
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine?
The IUPAC name of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine (CID 79479255) is 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine is COc1cccc(N2CCN(CCOCCN)CC2)c1.
What is the InChIKey of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine?
The InChIKey is OARCCTRLHWZVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-19-15-4-2-3-14(13-15)18-8-6-17(7-9-18)10-12-20-11-5-16/h2-4,13H,5-12,16H2,1H3.
What are the key properties of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine?
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine is sourced from PubChem (CID 79479255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).