1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride

C19H24Cl4N2 — CID 21275288

IUPAC1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(CCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22Cl2N2.2ClH/c20-18-5-1-16(2-6-18)9-10-22-11-13-23(14-12-22)15-17-3-7-19(21)8-4-17;;/h1-8H,9-15H2;2*1H
InChIKeyFMIJHFPJMRGUMJ-UHFFFAOYSA-N
MW422.23 g/mol
LogP5.20
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride

1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride (PubChem CID 21275288) has the molecular formula C19H24Cl4N2 and a molecular weight of 422.23 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
PubChem CID21275288
Molecular FormulaC19H24Cl4N2
Molecular Weight422.23 g/mol
Exact Mass420.07
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(CCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22Cl2N2.2ClH/c20-18-5-1-16(2-6-18)9-10-22-11-13-23(14-12-22)15-17-3-7-19(21)8-4-17;;/h1-8H,9-15H2;2*1H
InChIKeyFMIJHFPJMRGUMJ-UHFFFAOYSA-N
XLogP5.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.23
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-(2-bromoethyl)-4-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 80667202
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
CID 21275301
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113074562
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
CID 166314408
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
CID 21275355
2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 9390005

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride (CID 21275288) is 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc(CCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is FMIJHFPJMRGUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2.2ClH/c20-18-5-1-16(2-6-18)9-10-22-11-13-23(14-12-22)15-17-3-7-19(21)8-4-17;;/h1-8H,9-15H2;2*1H.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride?
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride has a molecular weight of 422.23 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 21275288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).