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

C30H26Cl4N2 — CID 89446711

IUPAC2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine
SMILESClc1ccc(Cc2ccccc2CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C30H26Cl4N2/c31-25-9-5-21(6-10-25)17-23-3-1-2-4-24(23)19-35-15-16-36(29-14-13-27(33)18-28(29)34)30(20-35)22-7-11-26(32)12-8-22/h1-14,18,30H,15-17,19-20H2
InChIKeyHOHKMXPLAROWLO-UHFFFAOYSA-N
MW556.36 g/mol
LogP8.95
Rot. Bonds6

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

2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine (PubChem CID 89446711) has the molecular formula C30H26Cl4N2 and a molecular weight of 556.36 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine
PubChem CID89446711
Molecular FormulaC30H26Cl4N2
Molecular Weight556.36 g/mol
Exact Mass554.09
IUPAC Name2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine
SMILESClc1ccc(Cc2ccccc2CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C30H26Cl4N2/c31-25-9-5-21(6-10-25)17-23-3-1-2-4-24(23)19-35-15-16-36(29-14-13-27(33)18-28(29)34)30(20-35)22-7-11-26(32)12-8-22/h1-14,18,30H,15-17,19-20H2
InChIKeyHOHKMXPLAROWLO-UHFFFAOYSA-N
XLogP8.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.36
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine?
The IUPAC name of 2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine (CID 89446711) is 2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine is Clc1ccc(Cc2ccccc2CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine?
The InChIKey is HOHKMXPLAROWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl4N2/c31-25-9-5-21(6-10-25)17-23-3-1-2-4-24(23)19-35-15-16-36(29-14-13-27(33)18-28(29)34)30(20-35)22-7-11-26(32)12-8-22/h1-14,18,30H,15-17,19-20H2.
What are the key properties of 2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine?
2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine has a molecular weight of 556.36 g/mol, XLogP of 8.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine is sourced from PubChem (CID 89446711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).