2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol

C16H26N2O3 — CID 82964690

IUPAC2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCN(C)C(C)(C)C2)cc(OC)c1O
InChIInChI=1S/C16H26N2O3/c1-16(2)11-18(7-6-17(16)3)10-12-8-13(20-4)15(19)14(9-12)21-5/h8-9,19H,6-7,10-11H2,1-5H3
InChIKeyBDVIEUPGSXRAGP-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.94
Rot. Bonds4

About 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol

2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol (PubChem CID 82964690) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
PubChem CID82964690
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCN(C)C(C)(C)C2)cc(OC)c1O
InChIInChI=1S/C16H26N2O3/c1-16(2)11-18(7-6-17(16)3)10-12-8-13(20-4)15(19)14(9-12)21-5/h8-9,19H,6-7,10-11H2,1-5H3
InChIKeyBDVIEUPGSXRAGP-UHFFFAOYSA-N
XLogP1.94
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82980620
2-methoxy-5-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 65343846
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 106790863
[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63610193
1-[2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 72920608
2,6-dimethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 78976743
2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82981697
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
4-[[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 2880200
2-(trifluoromethyl)-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82964689
4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol
CID 82958668
[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63604707

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol (CID 82964690) is 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol is COc1cc(CN2CCN(C)C(C)(C)C2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol?
The InChIKey is BDVIEUPGSXRAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2)11-18(7-6-17(16)3)10-12-8-13(20-4)15(19)14(9-12)21-5/h8-9,19H,6-7,10-11H2,1-5H3.
What are the key properties of 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol?
2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol has a molecular weight of 294.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 82964690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).