1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine

C18H20Cl2N2 — CID 764022

IUPAC1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2/c19-17-7-6-16(12-18(17)20)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyIUNCEHMYVOKILY-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.31
Rot. Bonds4

About 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine

1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine (PubChem CID 764022) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine
PubChem CID764022
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2/c19-17-7-6-16(12-18(17)20)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyIUNCEHMYVOKILY-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine (CID 764022) is 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine is Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl.
What is the InChIKey of 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine?
The InChIKey is IUNCEHMYVOKILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c19-17-7-6-16(12-18(17)20)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2.
What are the key properties of 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine?
1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine has a molecular weight of 335.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 764022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).