5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol

C16H26N4O — CID 2343475

IUPAC5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(C=NN2CCN(C)CC2)c(O)c1
InChIInChI=1S/C16H26N4O/c1-4-19(5-2)15-7-6-14(16(21)12-15)13-17-20-10-8-18(3)9-11-20/h6-7,12-13,21H,4-5,8-11H2,1-3H3
InChIKeyXEEILYHWHULCPV-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.82
Rot. Bonds5

About 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol

5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 2343475) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol
PubChem CID2343475
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(C=NN2CCN(C)CC2)c(O)c1
InChIInChI=1S/C16H26N4O/c1-4-19(5-2)15-7-6-14(16(21)12-15)13-17-20-10-8-18(3)9-11-20/h6-7,12-13,21H,4-5,8-11H2,1-3H3
InChIKeyXEEILYHWHULCPV-UHFFFAOYSA-N
XLogP1.82
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol (CID 2343475) is 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol is CCN(CC)c1ccc(C=NN2CCN(C)CC2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is XEEILYHWHULCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-19(5-2)15-7-6-14(16(21)12-15)13-17-20-10-8-18(3)9-11-20/h6-7,12-13,21H,4-5,8-11H2,1-3H3.
What are the key properties of 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol?
5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 290.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 2343475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).