[2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol

C16H28N2O3+2 — CID 7380493

IUPAC[2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol
SMILESC[NH+]1CC[NH+](CCOCCOc2ccccc2CO)CC1
InChIInChI=1S/C16H26N2O3/c1-17-6-8-18(9-7-17)10-11-20-12-13-21-16-5-3-2-4-15(16)14-19/h2-5,19H,6-14H2,1H3/p+2
InChIKeyNDDMJSVBXSESNM-UHFFFAOYSA-P
MW296.41 g/mol
LogP-2.01
Rot. Bonds8

About [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol

[2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol (PubChem CID 7380493) has the molecular formula C16H28N2O3+2 and a molecular weight of 296.41 g/mol. Its IUPAC name is [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol
PubChem CID7380493
Molecular FormulaC16H28N2O3+2
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name[2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol
SMILESC[NH+]1CC[NH+](CCOCCOc2ccccc2CO)CC1
InChIInChI=1S/C16H26N2O3/c1-17-6-8-18(9-7-17)10-11-20-12-13-21-16-5-3-2-4-15(16)14-19/h2-5,19H,6-14H2,1H3/p+2
InChIKeyNDDMJSVBXSESNM-UHFFFAOYSA-P
XLogP-2.01
TPSA47.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]benzonitrile
CID 7380430
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
CID 2269433
[2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol
CID 7380355
1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
CID 2270055
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
1-[2-[2-(3-bromophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
CID 2581089
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]pyrrolidin-1-ium
CID 7241063
1-methyl-4-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethyl]piperazine-1,4-diium
CID 2582699
[2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
1-methyl-4-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]piperazine-1,4-diium
CID 2269834

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol?
The IUPAC name of [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol (CID 7380493) is [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol.
What is the SMILES notation for [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol?
The canonical SMILES for [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol is C[NH+]1CC[NH+](CCOCCOc2ccccc2CO)CC1.
What is the InChIKey of [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol?
The InChIKey is NDDMJSVBXSESNM-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H26N2O3/c1-17-6-8-18(9-7-17)10-11-20-12-13-21-16-5-3-2-4-15(16)14-19/h2-5,19H,6-14H2,1H3/p+2.
What are the key properties of [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol?
[2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol has a molecular weight of 296.41 g/mol, XLogP of -2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol is sourced from PubChem (CID 7380493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).