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

C27H32N2O2 — CID 2977898

IUPAC1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
SMILESc1ccc(CN2CCN(CCOCCOc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N2O2/c1-3-9-24(10-4-1)23-29-17-15-28(16-18-29)19-20-30-21-22-31-27-14-8-7-13-26(27)25-11-5-2-6-12-25/h1-14H,15-23H2
InChIKeyKTJFSNZMMFRYOH-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.57
Rot. Bonds10

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

1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine (PubChem CID 2977898) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
PubChem CID2977898
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
SMILESc1ccc(CN2CCN(CCOCCOc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N2O2/c1-3-9-24(10-4-1)23-29-17-15-28(16-18-29)19-20-30-21-22-31-27-14-8-7-13-26(27)25-11-5-2-6-12-25/h1-14H,15-23H2
InChIKeyKTJFSNZMMFRYOH-UHFFFAOYSA-N
XLogP4.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.57
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-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
1-benzyl-4-[2-[2-(5-methyl-2-nitrophenoxy)ethoxy]ethyl]piperazine
CID 2976731
1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
CID 2961405
2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 1305271
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
CID 18435678
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 90105371

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine (CID 2977898) is 1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine is c1ccc(CN2CCN(CCOCCOc3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine?
The InChIKey is KTJFSNZMMFRYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-3-9-24(10-4-1)23-29-17-15-28(16-18-29)19-20-30-21-22-31-27-14-8-7-13-26(27)25-11-5-2-6-12-25/h1-14H,15-23H2.
What are the key properties of 1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine?
1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine has a molecular weight of 416.57 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine is sourced from PubChem (CID 2977898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).