2-benzhydryl-3,5-dichloropiperazine

C17H18Cl2N2 — CID 154433424

IUPAC2-benzhydryl-3,5-dichloropiperazine
SMILESClC1CNC(C(c2ccccc2)c2ccccc2)C(Cl)N1
InChIInChI=1S/C17H18Cl2N2/c18-14-11-20-16(17(19)21-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17,20-21H,11H2
InChIKeyPMSQOJYLEYUEBL-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.51
Rot. Bonds3

About 2-benzhydryl-3,5-dichloropiperazine

2-benzhydryl-3,5-dichloropiperazine (PubChem CID 154433424) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-benzhydryl-3,5-dichloropiperazine.

Molecular Properties

Compound Name2-benzhydryl-3,5-dichloropiperazine
PubChem CID154433424
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name2-benzhydryl-3,5-dichloropiperazine
SMILESClC1CNC(C(c2ccccc2)c2ccccc2)C(Cl)N1
InChIInChI=1S/C17H18Cl2N2/c18-14-11-20-16(17(19)21-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17,20-21H,11H2
InChIKeyPMSQOJYLEYUEBL-UHFFFAOYSA-N
XLogP3.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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4-benzhydryl-N-[(2-methylthiophen-3-yl)methyl]-3-azabicyclo[4.1.0]heptan-5-amine
CID 70201126
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(4S)-4-benzhydryl-1,3-thiazolidine
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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-3,5-dichloropiperazine?
The IUPAC name of 2-benzhydryl-3,5-dichloropiperazine (CID 154433424) is 2-benzhydryl-3,5-dichloropiperazine.
What is the SMILES notation for 2-benzhydryl-3,5-dichloropiperazine?
The canonical SMILES for 2-benzhydryl-3,5-dichloropiperazine is ClC1CNC(C(c2ccccc2)c2ccccc2)C(Cl)N1.
What is the InChIKey of 2-benzhydryl-3,5-dichloropiperazine?
The InChIKey is PMSQOJYLEYUEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-14-11-20-16(17(19)21-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17,20-21H,11H2.
What are the key properties of 2-benzhydryl-3,5-dichloropiperazine?
2-benzhydryl-3,5-dichloropiperazine has a molecular weight of 321.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-3,5-dichloropiperazine is sourced from PubChem (CID 154433424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).