2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol

C25H23Cl3N2O — CID 25164951

IUPAC2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H23Cl3N2O/c26-18-7-5-16(6-8-18)24-15-29(23-13-17-3-1-2-4-20(17)25(23)31)11-12-30(24)22-10-9-19(27)14-21(22)28/h1-10,14,23-25,31H,11-13,15H2/t23?,24-,25?/m0/s1
InChIKeyQOXSDQBBGRVFKM-BQCMWAFGSA-N
MW473.83 g/mol
LogP6.17
Rot. Bonds3

About 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol

2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 25164951) has the molecular formula C25H23Cl3N2O and a molecular weight of 473.83 g/mol. Its IUPAC name is 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol
PubChem CID25164951
Molecular FormulaC25H23Cl3N2O
Molecular Weight473.83 g/mol
Exact Mass472.09
IUPAC Name2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H23Cl3N2O/c26-18-7-5-16(6-8-18)24-15-29(23-13-17-3-1-2-4-20(17)25(23)31)11-12-30(24)22-10-9-19(27)14-21(22)28/h1-10,14,23-25,31H,11-13,15H2/t23?,24-,25?/m0/s1
InChIKeyQOXSDQBBGRVFKM-BQCMWAFGSA-N
XLogP6.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.83
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol (CID 25164951) is 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2CC1N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is QOXSDQBBGRVFKM-BQCMWAFGSA-N. The full InChI is InChI=1S/C25H23Cl3N2O/c26-18-7-5-16(6-8-18)24-15-29(23-13-17-3-1-2-4-20(17)25(23)31)11-12-30(24)22-10-9-19(27)14-21(22)28/h1-10,14,23-25,31H,11-13,15H2/t23?,24-,25?/m0/s1.
What are the key properties of 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol?
2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 473.83 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 25164951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).