2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol

C16H26N2O2 — CID 64977910

IUPAC2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol
SMILESCCC1CN(Cc2cc(OC)ccc2O)C(CC)CN1
InChIInChI=1S/C16H26N2O2/c1-4-13-11-18(14(5-2)9-17-13)10-12-8-15(20-3)6-7-16(12)19/h6-8,13-14,17,19H,4-5,9-11H2,1-3H3
InChIKeyYXVKETMWVADBDG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds5

About 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol

2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol (PubChem CID 64977910) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol
PubChem CID64977910
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol
SMILESCCC1CN(Cc2cc(OC)ccc2O)C(CC)CN1
InChIInChI=1S/C16H26N2O2/c1-4-13-11-18(14(5-2)9-17-13)10-12-8-15(20-3)6-7-16(12)19/h6-8,13-14,17,19H,4-5,9-11H2,1-3H3
InChIKeyYXVKETMWVADBDG-UHFFFAOYSA-N
XLogP2.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol (CID 64977910) is 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol is CCC1CN(Cc2cc(OC)ccc2O)C(CC)CN1.
What is the InChIKey of 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol?
The InChIKey is YXVKETMWVADBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-13-11-18(14(5-2)9-17-13)10-12-8-15(20-3)6-7-16(12)19/h6-8,13-14,17,19H,4-5,9-11H2,1-3H3.
What are the key properties of 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol?
2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol has a molecular weight of 278.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol is sourced from PubChem (CID 64977910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).