1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine

C21H28N2O2 — CID 2168286

IUPAC1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-3-25-20-9-7-18(8-10-20)16-22-11-13-23(14-12-22)17-19-5-4-6-21(15-19)24-2/h4-10,15H,3,11-14,16-17H2,1-2H3
InChIKeyQLSGXVAPUVNDFQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.41
Rot. Bonds7

About 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine

1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine (PubChem CID 2168286) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
PubChem CID2168286
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-3-25-20-9-7-18(8-10-20)16-22-11-13-23(14-12-22)17-19-5-4-6-21(15-19)24-2/h4-10,15H,3,11-14,16-17H2,1-2H3
InChIKeyQLSGXVAPUVNDFQ-UHFFFAOYSA-N
XLogP3.41
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[(3-chlorophenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366705
(2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
CID 92569271
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 737879
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine (CID 2168286) is 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine is CCOc1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine?
The InChIKey is QLSGXVAPUVNDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-25-20-9-7-18(8-10-20)16-22-11-13-23(14-12-22)17-19-5-4-6-21(15-19)24-2/h4-10,15H,3,11-14,16-17H2,1-2H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine?
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine has a molecular weight of 340.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2168286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).