1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine

C17H18Cl2N2 — CID 64938465

IUPAC1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
SMILESCC1CN(c2ccc(Cl)c(Cl)c2)C(c2ccccc2)CN1
InChIInChI=1S/C17H18Cl2N2/c1-12-11-21(14-7-8-15(18)16(19)9-14)17(10-20-12)13-5-3-2-4-6-13/h2-9,12,17,20H,10-11H2,1H3
InChIKeyOODPCLZNXQBJMW-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.53
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine

1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine (PubChem CID 64938465) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
PubChem CID64938465
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
SMILESCC1CN(c2ccc(Cl)c(Cl)c2)C(c2ccccc2)CN1
InChIInChI=1S/C17H18Cl2N2/c1-12-11-21(14-7-8-15(18)16(19)9-14)17(10-20-12)13-5-3-2-4-6-13/h2-9,12,17,20H,10-11H2,1H3
InChIKeyOODPCLZNXQBJMW-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine (CID 64938465) is 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine is CC1CN(c2ccc(Cl)c(Cl)c2)C(c2ccccc2)CN1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine?
The InChIKey is OODPCLZNXQBJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-12-11-21(14-7-8-15(18)16(19)9-14)17(10-20-12)13-5-3-2-4-6-13/h2-9,12,17,20H,10-11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine?
1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine has a molecular weight of 321.25 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 64938465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).