1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine

C19H22ClFN2 — CID 782692

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(Cc3c(F)cccc3Cl)CC2)c1C
InChIInChI=1S/C19H22ClFN2/c1-14-5-3-8-19(15(14)2)23-11-9-22(10-12-23)13-16-17(20)6-4-7-18(16)21/h3-8H,9-13H2,1-2H3
InChIKeyLWNCILVLGZOGDA-UHFFFAOYSA-N
MW332.85 g/mol
LogP4.42
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine

1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 782692) has the molecular formula C19H22ClFN2 and a molecular weight of 332.85 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID782692
Molecular FormulaC19H22ClFN2
Molecular Weight332.85 g/mol
Exact Mass332.15
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(Cc3c(F)cccc3Cl)CC2)c1C
InChIInChI=1S/C19H22ClFN2/c1-14-5-3-8-19(15(14)2)23-11-9-22(10-12-23)13-16-17(20)6-4-7-18(16)21/h3-8H,9-13H2,1-2H3
InChIKeyLWNCILVLGZOGDA-UHFFFAOYSA-N
XLogP4.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(3-chlorophenyl)piperazine
CID 413525
1-(2-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 409926
1-(3-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845469
1-(2-Chlorophenyl)-4-(3-phenylpropyl)piperazine
CID 2845629
1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine
CID 3299322
1-Butyl-4-(2-chloro-3-ethylphenyl)piperazine
CID 155535272
1-(2-Chlorobenzyl)-4-phenylpiperazine
CID 765042
1-(4-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845455
1-Benzyl-4-(4-chlorophenyl)piperazine
CID 233199
1-(4-Chlorophenyl)-4-(2-methylbenzyl)piperazine
CID 750762
1-(2-Chlorobenzyl)-4-(2-chlorophenyl)piperazine
CID 764219
1-(4-Chlorophenyl)-4-(4-fluorobenzyl)piperazine
CID 2838239

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine (CID 782692) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(Cc3c(F)cccc3Cl)CC2)c1C.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is LWNCILVLGZOGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2/c1-14-5-3-8-19(15(14)2)23-11-9-22(10-12-23)13-16-17(20)6-4-7-18(16)21/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 332.85 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 782692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).