1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine

C18H20Cl2N2 — CID 70247094

IUPAC1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine
SMILESClc1ccc(Cl)c(CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H20Cl2N2/c19-16-6-7-18(20)15(14-16)8-9-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-7,14H,8-13H2
InChIKeyWVUWSSOZZGMTJA-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.36
Rot. Bonds4

About 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine

1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine (PubChem CID 70247094) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine
PubChem CID70247094
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine
SMILESClc1ccc(Cl)c(CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H20Cl2N2/c19-16-6-7-18(20)15(14-16)8-9-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-7,14H,8-13H2
InChIKeyWVUWSSOZZGMTJA-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine
CID 114846295
1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine
CID 113075244
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
2-chloro-10-[3-(4-phenylpiperazin-1-yl)propyl]phenothiazine
CID 135251831
3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 68791115
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
4-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride
CID 45262961
5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine (CID 70247094) is 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine is Clc1ccc(Cl)c(CCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine?
The InChIKey is WVUWSSOZZGMTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c19-16-6-7-18(20)15(14-16)8-9-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-7,14H,8-13H2.
What are the key properties of 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine?
1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine has a molecular weight of 335.28 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 70247094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).