7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C25H33Cl2N3O — CID 10479465

IUPAC7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C25H33Cl2N3O/c1-2-10-29(21-8-6-19-7-9-22(31)18-20(19)17-21)14-11-28-12-15-30(16-13-28)24-5-3-4-23(26)25(24)27/h3-5,7,9,18,21,31H,2,6,8,10-17H2,1H3
InChIKeyQUMJJLZEFJECGH-UHFFFAOYSA-N
MW462.47 g/mol
LogP5.09
Rot. Bonds7

About 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 10479465) has the molecular formula C25H33Cl2N3O and a molecular weight of 462.47 g/mol. Its IUPAC name is 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID10479465
Molecular FormulaC25H33Cl2N3O
Molecular Weight462.47 g/mol
Exact Mass461.20
IUPAC Name7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C25H33Cl2N3O/c1-2-10-29(21-8-6-19-7-9-22(31)18-20(19)17-21)14-11-28-12-15-30(16-13-28)24-5-3-4-23(26)25(24)27/h3-5,7,9,18,21,31H,2,6,8,10-17H2,1H3
InChIKeyQUMJJLZEFJECGH-UHFFFAOYSA-N
XLogP5.09
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 10479465) is 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is QUMJJLZEFJECGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33Cl2N3O/c1-2-10-29(21-8-6-19-7-9-22(31)18-20(19)17-21)14-11-28-12-15-30(16-13-28)24-5-3-4-23(26)25(24)27/h3-5,7,9,18,21,31H,2,6,8,10-17H2,1H3.
What are the key properties of 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 462.47 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10479465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).