1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine

C21H28N2O2 — CID 2923305

IUPAC1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
SMILESCN1CCN(CCOCCOc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H28N2O2/c1-22-11-13-23(14-12-22)15-16-24-17-18-25-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
InChIKeyPRSHHYBWVKSDRO-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.00
Rot. Bonds8

About 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine

1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine (PubChem CID 2923305) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
PubChem CID2923305
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
SMILESCN1CCN(CCOCCOc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H28N2O2/c1-22-11-13-23(14-12-22)15-16-24-17-18-25-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
InChIKeyPRSHHYBWVKSDRO-UHFFFAOYSA-N
XLogP3.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2977898
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787
1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270787
1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
CID 2961405
2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 1305271
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
CID 30088160
1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2995910
1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine
CID 13054183
1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2996315
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 30075930

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine (CID 2923305) is 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine is CN1CCN(CCOCCOc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine?
The InChIKey is PRSHHYBWVKSDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-22-11-13-23(14-12-22)15-16-24-17-18-25-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-10H,11-18H2,1H3.
What are the key properties of 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine?
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine has a molecular weight of 340.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine is sourced from PubChem (CID 2923305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).