2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol

C16H28N2O3+2 — CID 4743097

IUPAC2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol
SMILESCOc1cc(C[NH+]2CC[NH+](C(C)C)CC2)cc(OC)c1O
InChIInChI=1S/C16H26N2O3/c1-12(2)18-7-5-17(6-8-18)11-13-9-14(20-3)16(19)15(10-13)21-4/h9-10,12,19H,5-8,11H2,1-4H3/p+2
InChIKeyUFTQHTJRASCFBU-UHFFFAOYSA-P
MW296.41 g/mol
LogP-0.90
Rot. Bonds5

About 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol

2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol (PubChem CID 4743097) has the molecular formula C16H28N2O3+2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol
PubChem CID4743097
Molecular FormulaC16H28N2O3+2
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol
SMILESCOc1cc(C[NH+]2CC[NH+](C(C)C)CC2)cc(OC)c1O
InChIInChI=1S/C16H26N2O3/c1-12(2)18-7-5-17(6-8-18)11-13-9-14(20-3)16(19)15(10-13)21-4/h9-10,12,19H,5-8,11H2,1-4H3/p+2
InChIKeyUFTQHTJRASCFBU-UHFFFAOYSA-P
XLogP-0.90
TPSA47.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-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

1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4744187
4-(azocan-1-ium-1-ylmethyl)-2,6-dimethoxyphenol
CID 6940243
4-[[4-[(3-bromophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxyphenol
CID 7028467
1-propan-2-yl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium
CID 3313140
4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-bromo-6-methoxyphenol
CID 6961942
2,6-dimethoxy-4-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]methyl]phenol
CID 4755696
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 6961984
1-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4745568
1-[(4-bromophenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium
CID 7478090
4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methoxyphenol
CID 6944123
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol
CID 7112025
1-[(4-bromophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755067

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol (CID 4743097) is 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol is COc1cc(C[NH+]2CC[NH+](C(C)C)CC2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol?
The InChIKey is UFTQHTJRASCFBU-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)18-7-5-17(6-8-18)11-13-9-14(20-3)16(19)15(10-13)21-4/h9-10,12,19H,5-8,11H2,1-4H3/p+2.
What are the key properties of 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol?
2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol has a molecular weight of 296.41 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(4-propan-2-ylpiperazine-1,4-diium-1-yl)methyl]phenol is sourced from PubChem (CID 4743097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).