4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine

C13H21N3O2 — CID 71214484

IUPAC4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine
SMILESCOCCOc1ccc(N2CCN(N)CC2)cc1
InChIInChI=1S/C13H21N3O2/c1-17-10-11-18-13-4-2-12(3-5-13)15-6-8-16(14)9-7-15/h2-5H,6-11,14H2,1H3
InChIKeyMTVDLJWYCSZOHI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.71
Rot. Bonds5

About 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine

4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine (PubChem CID 71214484) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine
PubChem CID71214484
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine
SMILESCOCCOc1ccc(N2CCN(N)CC2)cc1
InChIInChI=1S/C13H21N3O2/c1-17-10-11-18-13-4-2-12(3-5-13)15-6-8-16(14)9-7-15/h2-5H,6-11,14H2,1H3
InChIKeyMTVDLJWYCSZOHI-UHFFFAOYSA-N
XLogP0.71
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine
CID 23540146
CID 155718749
CID 155718749
1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine
CID 146327708
(2R)-4-[4-(2-methoxyethoxy)phenyl]-2-methylpiperazine-1-carboxylic acid
CID 166758998
1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine
CID 175944988
4-(4-fluorophenyl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111061352
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111242503
(4-butoxyphenyl)-[4-[4-[4-[(4-butoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene
CID 139387004
methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate
CID 18918214
4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid
CID 11058060
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55756147
1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine
CID 117316587

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine?
The IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine (CID 71214484) is 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine?
The canonical SMILES for 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine is COCCOc1ccc(N2CCN(N)CC2)cc1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine?
The InChIKey is MTVDLJWYCSZOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-10-11-18-13-4-2-12(3-5-13)15-6-8-16(14)9-7-15/h2-5H,6-11,14H2,1H3.
What are the key properties of 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine?
4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine has a molecular weight of 251.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine is sourced from PubChem (CID 71214484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).