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

C29H37N3O — CID 45486363

IUPAC7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2cccc3ccccc23)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C29H37N3O/c1-2-14-31(26-12-10-23-11-13-27(33)22-25(23)21-26)18-15-30-16-19-32(20-17-30)29-9-5-7-24-6-3-4-8-28(24)29/h3-9,11,13,22,26,33H,2,10,12,14-21H2,1H3
InChIKeyJCZBIVTZYYLWOL-UHFFFAOYSA-N
MW443.64 g/mol
LogP4.94
Rot. Bonds7

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

7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 45486363) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is 7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID45486363
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC Name7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2cccc3ccccc23)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C29H37N3O/c1-2-14-31(26-12-10-23-11-13-27(33)22-25(23)21-26)18-15-30-16-19-32(20-17-30)29-9-5-7-24-6-3-4-8-28(24)29/h3-9,11,13,22,26,33H,2,10,12,14-21H2,1H3
InChIKeyJCZBIVTZYYLWOL-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-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 45486363) is 7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(c2cccc3ccccc23)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is JCZBIVTZYYLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c1-2-14-31(26-12-10-23-11-13-27(33)22-25(23)21-26)18-15-30-16-19-32(20-17-30)29-9-5-7-24-6-3-4-8-28(24)29/h3-9,11,13,22,26,33H,2,10,12,14-21H2,1H3.
What are the key properties of 7-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[2-(4-naphthalen-1-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-1-ylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 45486363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).