1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine

C23H22Cl2N2O — CID 3597593

IUPAC1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
SMILESClc1ccc(C(c2cccc(Oc3ccccc3)c2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C23H22Cl2N2O/c24-18-9-10-21(22(25)16-18)23(27-13-11-26-12-14-27)17-5-4-8-20(15-17)28-19-6-2-1-3-7-19/h1-10,15-16,23,26H,11-14H2
InChIKeyFEBIEEGPEJEQJX-UHFFFAOYSA-N
MW413.35 g/mol
LogP5.78
Rot. Bonds5

About 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine

1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine (PubChem CID 3597593) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
PubChem CID3597593
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
SMILESClc1ccc(C(c2cccc(Oc3ccccc3)c2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C23H22Cl2N2O/c24-18-9-10-21(22(25)16-18)23(27-13-11-26-12-14-27)17-5-4-8-20(15-17)28-19-6-2-1-3-7-19/h1-10,15-16,23,26H,11-14H2
InChIKeyFEBIEEGPEJEQJX-UHFFFAOYSA-N
XLogP5.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3831792
1-[(3-chlorophenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane
CID 3791498
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3779919
1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4209261
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[(2,4-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3297295
1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine
CID 45277417
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
CID 3272834
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane
CID 3745740
1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperazine
CID 3909785

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine (CID 3597593) is 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine is Clc1ccc(C(c2cccc(Oc3ccccc3)c2)N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine?
The InChIKey is FEBIEEGPEJEQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c24-18-9-10-21(22(25)16-18)23(27-13-11-26-12-14-27)17-5-4-8-20(15-17)28-19-6-2-1-3-7-19/h1-10,15-16,23,26H,11-14H2.
What are the key properties of 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine?
1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine has a molecular weight of 413.35 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3597593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).