7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C29H37N3O — CID 45486329

IUPAC7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccc3ccccc3c2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C29H37N3O/c1-2-13-31(28-11-8-24-9-12-29(33)22-26(24)21-28)17-14-30-15-18-32(19-16-30)27-10-7-23-5-3-4-6-25(23)20-27/h3-7,9-10,12,20,22,28,33H,2,8,11,13-19,21H2,1H3
InChIKeyUUXJEWIMBQSYJG-UHFFFAOYSA-N
MW443.64 g/mol
LogP4.94
Rot. Bonds7

About 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 45486329) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID45486329
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC Name7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccc3ccccc3c2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C29H37N3O/c1-2-13-31(28-11-8-24-9-12-29(33)22-26(24)21-28)17-14-30-15-18-32(19-16-30)27-10-7-23-5-3-4-6-25(23)20-27/h3-7,9-10,12,20,22,28,33H,2,8,11,13-19,21H2,1H3
InChIKeyUUXJEWIMBQSYJG-UHFFFAOYSA-N
XLogP4.94
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 45486329) is 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(c2ccc3ccccc3c2)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is UUXJEWIMBQSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c1-2-13-31(28-11-8-24-9-12-29(33)22-26(24)21-28)17-14-30-15-18-32(19-16-30)27-10-7-23-5-3-4-6-25(23)20-27/h3-7,9-10,12,20,22,28,33H,2,8,11,13-19,21H2,1H3.
What are the key properties of 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 443.64 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 45486329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).