1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine

C17H17ClF2N2 — CID 756823

IUPAC1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine
SMILESFc1cccc(F)c1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17ClF2N2/c18-13-4-6-14(7-5-13)22-10-8-21(9-11-22)12-15-16(19)2-1-3-17(15)20/h1-7H,8-12H2
InChIKeyMZHRIEHYGIGWNY-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine

1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine (PubChem CID 756823) has the molecular formula C17H17ClF2N2 and a molecular weight of 322.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine
PubChem CID756823
Molecular FormulaC17H17ClF2N2
Molecular Weight322.79 g/mol
Exact Mass322.10
IUPAC Name1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine
SMILESFc1cccc(F)c1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17ClF2N2/c18-13-4-6-14(7-5-13)22-10-8-21(9-11-22)12-15-16(19)2-1-3-17(15)20/h1-7H,8-12H2
InChIKeyMZHRIEHYGIGWNY-UHFFFAOYSA-N
XLogP3.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine (CID 756823) is 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine is Fc1cccc(F)c1CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine?
The InChIKey is MZHRIEHYGIGWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2/c18-13-4-6-14(7-5-13)22-10-8-21(9-11-22)12-15-16(19)2-1-3-17(15)20/h1-7H,8-12H2.
What are the key properties of 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine?
1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine has a molecular weight of 322.79 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 756823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).