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

C26H37N3O2 — CID 24754400

IUPAC6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C26H37N3O2/c1-3-13-28(22-11-12-23-21(20-22)7-6-9-25(23)30)17-14-27-15-18-29(19-16-27)24-8-4-5-10-26(24)31-2/h4-10,22,30H,3,11-20H2,1-2H3
InChIKeyZGSHIAJEAFZHNC-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.79
Rot. Bonds8

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

6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 24754400) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID24754400
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C26H37N3O2/c1-3-13-28(22-11-12-23-21(20-22)7-6-9-25(23)30)17-14-27-15-18-29(19-16-27)24-8-4-5-10-26(24)31-2/h4-10,22,30H,3,11-20H2,1-2H3
InChIKeyZGSHIAJEAFZHNC-UHFFFAOYSA-N
XLogP3.79
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol with MolForge

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Related Compounds

Naftopidil
CID 4418
Basic Red 76
CID 110099
2-Phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 9953602
2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol
CID 448915
Naftopidil Dihydrochloride
CID 11957660
1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
1-Methyl-2-(4-methylphenyl)-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10928571
1-Methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10993930
1-Methyl-2-(4-methylphenyl)-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11037591
1-{4-[2-(Azepan-1-yl)ethoxy]phenyl}-1-methyl-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11091722

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 24754400) is 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2c(O)cccc2C1.
What is the InChIKey of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is ZGSHIAJEAFZHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-3-13-28(22-11-12-23-21(20-22)7-6-9-25(23)30)17-14-27-15-18-29(19-16-27)24-8-4-5-10-26(24)31-2/h4-10,22,30H,3,11-20H2,1-2H3.
What are the key properties of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 423.60 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 24754400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).