[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol

C16H26N2O3 — CID 2996618

IUPAC[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
SMILESCN1CCN(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
InChIKeyNDDMJSVBXSESNM-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.82
Rot. Bonds8

About [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol

[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol (PubChem CID 2996618) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
PubChem CID2996618
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
SMILESCN1CCN(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
InChIKeyNDDMJSVBXSESNM-UHFFFAOYSA-N
XLogP0.82
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol 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-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
CID 30088160
1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270787
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol
CID 82885876
1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2996315
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438868
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 30075930

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol?
The IUPAC name of [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol (CID 2996618) is [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol.
What is the SMILES notation for [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol?
The canonical SMILES for [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol is CN1CCN(CCOCCOc2ccccc2CO)CC1.
What is the InChIKey of [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol?
The InChIKey is NDDMJSVBXSESNM-UHFFFAOYSA-N. 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.
What are the key properties of [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol?
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol has a molecular weight of 294.39 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol is sourced from PubChem (CID 2996618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).