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

C26H24Cl4N2 — CID 58732978

IUPAC(2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine
SMILESClc1ccc([C@@H]2CN(CC3(c4ccc(Cl)cc4)CC3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H24Cl4N2/c27-20-5-1-18(2-6-20)25-16-31(13-14-32(25)24-10-9-22(29)15-23(24)30)17-26(11-12-26)19-3-7-21(28)8-4-19/h1-10,15,25H,11-14,16-17H2/t25-/m0/s1
InChIKeyZBVCIFTYEKWBCR-VWLOTQADSA-N
MW506.30 g/mol
LogP7.90
Rot. Bonds5

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

(2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine (PubChem CID 58732978) has the molecular formula C26H24Cl4N2 and a molecular weight of 506.30 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine
PubChem CID58732978
Molecular FormulaC26H24Cl4N2
Molecular Weight506.30 g/mol
Exact Mass504.07
IUPAC Name(2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine
SMILESClc1ccc([C@@H]2CN(CC3(c4ccc(Cl)cc4)CC3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H24Cl4N2/c27-20-5-1-18(2-6-20)25-16-31(13-14-32(25)24-10-9-22(29)15-23(24)30)17-26(11-12-26)19-3-7-21(28)8-4-19/h1-10,15,25H,11-14,16-17H2/t25-/m0/s1
InChIKeyZBVCIFTYEKWBCR-VWLOTQADSA-N
XLogP7.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.30
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine (CID 58732978) is (2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine is Clc1ccc([C@@H]2CN(CC3(c4ccc(Cl)cc4)CC3)CCN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine?
The InChIKey is ZBVCIFTYEKWBCR-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24Cl4N2/c27-20-5-1-18(2-6-20)25-16-31(13-14-32(25)24-10-9-22(29)15-23(24)30)17-26(11-12-26)19-3-7-21(28)8-4-19/h1-10,15,25H,11-14,16-17H2/t25-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine?
(2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine has a molecular weight of 506.30 g/mol, XLogP of 7.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine is sourced from PubChem (CID 58732978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).