1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine

C24H24Cl2N2O — CID 3779919

IUPAC1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESClc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O/c25-20-8-11-22(23(26)16-20)24(28-14-12-27-13-15-28)19-6-9-21(10-7-19)29-17-18-4-2-1-3-5-18/h1-11,16,24,27H,12-15,17H2
InChIKeySCTTVPNBVDQWOZ-UHFFFAOYSA-N
MW427.38 g/mol
LogP5.57
Rot. Bonds6

About 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine

1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 3779919) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID3779919
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC Name1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESClc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O/c25-20-8-11-22(23(26)16-20)24(28-14-12-27-13-15-28)19-6-9-21(10-7-19)29-17-18-4-2-1-3-5-18/h1-11,16,24,27H,12-15,17H2
InChIKeySCTTVPNBVDQWOZ-UHFFFAOYSA-N
XLogP5.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3766274
1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3321312
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3597593
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763713
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
CID 3272834
1-[(5-chlorothiophen-2-yl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3795026
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3831792

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (CID 3779919) is 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is Clc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is SCTTVPNBVDQWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c25-20-8-11-22(23(26)16-20)24(28-14-12-27-13-15-28)19-6-9-21(10-7-19)29-17-18-4-2-1-3-5-18/h1-11,16,24,27H,12-15,17H2.
What are the key properties of 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 427.38 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3779919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).