1-phenyl-3-(trichloromethyl)piperazine

C11H13Cl3N2 — CID 118386883

IUPAC1-phenyl-3-(trichloromethyl)piperazine
SMILESClC(Cl)(Cl)C1CN(c2ccccc2)CCN1
InChIInChI=1S/C11H13Cl3N2/c12-11(13,14)10-8-16(7-6-15-10)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeyNRZALRPAKMAENK-UHFFFAOYSA-N
MW279.60 g/mol
LogP2.84
Rot. Bonds1

About 1-phenyl-3-(trichloromethyl)piperazine

1-phenyl-3-(trichloromethyl)piperazine (PubChem CID 118386883) has the molecular formula C11H13Cl3N2 and a molecular weight of 279.60 g/mol. Its IUPAC name is 1-phenyl-3-(trichloromethyl)piperazine.

Molecular Properties

Compound Name1-phenyl-3-(trichloromethyl)piperazine
PubChem CID118386883
Molecular FormulaC11H13Cl3N2
Molecular Weight279.60 g/mol
Exact Mass278.01
IUPAC Name1-phenyl-3-(trichloromethyl)piperazine
SMILESClC(Cl)(Cl)C1CN(c2ccccc2)CCN1
InChIInChI=1S/C11H13Cl3N2/c12-11(13,14)10-8-16(7-6-15-10)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeyNRZALRPAKMAENK-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.60
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trichloromethyl)piperazine?
The IUPAC name of 1-phenyl-3-(trichloromethyl)piperazine (CID 118386883) is 1-phenyl-3-(trichloromethyl)piperazine.
What is the SMILES notation for 1-phenyl-3-(trichloromethyl)piperazine?
The canonical SMILES for 1-phenyl-3-(trichloromethyl)piperazine is ClC(Cl)(Cl)C1CN(c2ccccc2)CCN1.
What is the InChIKey of 1-phenyl-3-(trichloromethyl)piperazine?
The InChIKey is NRZALRPAKMAENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2/c12-11(13,14)10-8-16(7-6-15-10)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2.
What are the key properties of 1-phenyl-3-(trichloromethyl)piperazine?
1-phenyl-3-(trichloromethyl)piperazine has a molecular weight of 279.60 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trichloromethyl)piperazine is sourced from PubChem (CID 118386883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).