2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol

C15H25N3O2 — CID 82043681

IUPAC2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol
SMILESCCN1CCN(C(CN)c2ccc(OC)cc2O)CC1
InChIInChI=1S/C15H25N3O2/c1-3-17-6-8-18(9-7-17)14(11-16)13-5-4-12(20-2)10-15(13)19/h4-5,10,14,19H,3,6-9,11,16H2,1-2H3
InChIKeyRCOOTKMWQAAKJV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.04
Rot. Bonds5

About 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol

2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol (PubChem CID 82043681) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol
PubChem CID82043681
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol
SMILESCCN1CCN(C(CN)c2ccc(OC)cc2O)CC1
InChIInChI=1S/C15H25N3O2/c1-3-17-6-8-18(9-7-17)14(11-16)13-5-4-12(20-2)10-15(13)19/h4-5,10,14,19H,3,6-9,11,16H2,1-2H3
InChIKeyRCOOTKMWQAAKJV-UHFFFAOYSA-N
XLogP1.04
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol
CID 171168694
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol;hydrochloride
CID 171168695
2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine
CID 112748975
2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride
CID 171183348
2-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16642914
4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
CID 83979614
2-(2,4-dimethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973119
2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
CID 83979698
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol (CID 82043681) is 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol is CCN1CCN(C(CN)c2ccc(OC)cc2O)CC1.
What is the InChIKey of 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol?
The InChIKey is RCOOTKMWQAAKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-17-6-8-18(9-7-17)14(11-16)13-5-4-12(20-2)10-15(13)19/h4-5,10,14,19H,3,6-9,11,16H2,1-2H3.
What are the key properties of 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol?
2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol has a molecular weight of 279.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 82043681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).