1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine

C20H24Cl2N2O — CID 112808904

IUPAC1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
SMILESClc1ccc(Cl)c(OCCN2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C20H24Cl2N2O/c21-18-6-7-19(22)20(16-18)25-15-14-24-12-10-23(11-13-24)9-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyJIDNWWLRUOFZLR-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.23
Rot. Bonds7

About 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine

1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine (PubChem CID 112808904) has the molecular formula C20H24Cl2N2O and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
PubChem CID112808904
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
IUPAC Name1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
SMILESClc1ccc(Cl)c(OCCN2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C20H24Cl2N2O/c21-18-6-7-19(22)20(16-18)25-15-14-24-12-10-23(11-13-24)9-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyJIDNWWLRUOFZLR-UHFFFAOYSA-N
XLogP4.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dichloro-2-(4-phenylbutoxy)benzene
CID 114334883
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
CID 10496628
4-[3-(2,5-dichlorophenoxy)propyl]piperazine-1-carboxylic acid
CID 69460127
3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 112796498
1-[4-(2,5-dichlorophenoxy)butyl]piperazine
CID 2299434
[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 112814782
1-cyclopropylsulfonyl-4-[2-(2,5-dichlorophenoxy)ethyl]-1,4-diazepane
CID 126799490
4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 112797113
1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
CID 10852867
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55489470

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine (CID 112808904) is 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine is Clc1ccc(Cl)c(OCCN2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine?
The InChIKey is JIDNWWLRUOFZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O/c21-18-6-7-19(22)20(16-18)25-15-14-24-12-10-23(11-13-24)9-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2.
What are the key properties of 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine?
1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine has a molecular weight of 379.33 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 112808904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).