1-[(2-chloro-6-fluorophenyl)methyl]piperazine

C11H14ClFN2 — CID 735737

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]piperazine
SMILESFc1cccc(Cl)c1CN1CCNCC1
InChIInChI=1S/C11H14ClFN2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKeyPBJVZHBDDDMHIT-UHFFFAOYSA-N
MW228.70 g/mol
LogP1.88
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]piperazine

1-[(2-chloro-6-fluorophenyl)methyl]piperazine (PubChem CID 735737) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]piperazine
PubChem CID735737
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]piperazine
SMILESFc1cccc(Cl)c1CN1CCNCC1
InChIInChI=1S/C11H14ClFN2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKeyPBJVZHBDDDMHIT-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-6-fluorophenyl)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-[(2-chloro-6-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]piperazine (CID 735737) is 1-[(2-chloro-6-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]piperazine is Fc1cccc(Cl)c1CN1CCNCC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]piperazine?
The InChIKey is PBJVZHBDDDMHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]piperazine?
1-[(2-chloro-6-fluorophenyl)methyl]piperazine has a molecular weight of 228.70 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 735737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).