1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine

C17H18Cl2N2 — CID 783129

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine
SMILESClc1cccc(Cl)c1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18Cl2N2/c18-16-7-4-8-17(19)15(16)13-20-9-11-21(12-10-20)14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyAENWUTNIRPJXSF-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.32
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine

1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine (PubChem CID 783129) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine
PubChem CID783129
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine
SMILESClc1cccc(Cl)c1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18Cl2N2/c18-16-7-4-8-17(19)15(16)13-20-9-11-21(12-10-20)14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyAENWUTNIRPJXSF-UHFFFAOYSA-N
XLogP4.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine (CID 783129) is 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine is Clc1cccc(Cl)c1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine?
The InChIKey is AENWUTNIRPJXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-16-7-4-8-17(19)15(16)13-20-9-11-21(12-10-20)14-5-2-1-3-6-14/h1-8H,9-13H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine?
1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine has a molecular weight of 321.25 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 783129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).