5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol

C16H26N2O2 — CID 114541116

IUPAC5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
SMILESCOc1ccc(C(C)N2CC(C)N(C)C(C)C2)c(O)c1
InChIInChI=1S/C16H26N2O2/c1-11-9-18(10-12(2)17(11)4)13(3)15-7-6-14(20-5)8-16(15)19/h6-8,11-13,19H,9-10H2,1-5H3
InChIKeyFACADXHHBCABGY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.49
Rot. Bonds3

About 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol

5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol (PubChem CID 114541116) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
PubChem CID114541116
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
SMILESCOc1ccc(C(C)N2CC(C)N(C)C(C)C2)c(O)c1
InChIInChI=1S/C16H26N2O2/c1-11-9-18(10-12(2)17(11)4)13(3)15-7-6-14(20-5)8-16(15)19/h6-8,11-13,19H,9-10H2,1-5H3
InChIKeyFACADXHHBCABGY-UHFFFAOYSA-N
XLogP2.49
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol (CID 114541116) is 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol is COc1ccc(C(C)N2CC(C)N(C)C(C)C2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol?
The InChIKey is FACADXHHBCABGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-9-18(10-12(2)17(11)4)13(3)15-7-6-14(20-5)8-16(15)19/h6-8,11-13,19H,9-10H2,1-5H3.
What are the key properties of 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol?
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol is sourced from PubChem (CID 114541116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).