1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride

C18H22Cl4N2 — CID 138111695

IUPAC1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride
SMILESCC(c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C18H20Cl2N2.2ClH/c1-14(15-5-3-2-4-6-15)21-9-11-22(12-10-21)16-7-8-17(19)18(20)13-16;;/h2-8,13-14H,9-12H2,1H3;2*1H
InChIKeyXHFCMXQWOFQXKZ-UHFFFAOYSA-N
MW408.20 g/mol
LogP5.72
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride

1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride (PubChem CID 138111695) has the molecular formula C18H22Cl4N2 and a molecular weight of 408.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride
PubChem CID138111695
Molecular FormulaC18H22Cl4N2
Molecular Weight408.20 g/mol
Exact Mass406.05
IUPAC Name1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride
SMILESCC(c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C18H20Cl2N2.2ClH/c1-14(15-5-3-2-4-6-15)21-9-11-22(12-10-21)16-7-8-17(19)18(20)13-16;;/h2-8,13-14H,9-12H2,1H3;2*1H
InChIKeyXHFCMXQWOFQXKZ-UHFFFAOYSA-N
XLogP5.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.20
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride (CID 138111695) is 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride is CC(c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.Cl.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride?
The InChIKey is XHFCMXQWOFQXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2.2ClH/c1-14(15-5-3-2-4-6-15)21-9-11-22(12-10-21)16-7-8-17(19)18(20)13-16;;/h2-8,13-14H,9-12H2,1H3;2*1H.
What are the key properties of 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride?
1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride has a molecular weight of 408.20 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride is sourced from PubChem (CID 138111695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).