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

C31H39N3O — CID 52941006

IUPAC6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C31H39N3O/c1-2-17-33(29-15-16-30-27(24-29)9-6-10-31(30)35)21-18-32-19-22-34(23-20-32)28-13-11-26(12-14-28)25-7-4-3-5-8-25/h3-14,29,35H,2,15-24H2,1H3
InChIKeyKLFRUTOTKKRLHR-UHFFFAOYSA-N
MW469.67 g/mol
LogP5.45
Rot. Bonds8

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

6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 52941006) has the molecular formula C31H39N3O and a molecular weight of 469.67 g/mol. Its IUPAC name is 6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID52941006
Molecular FormulaC31H39N3O
Molecular Weight469.67 g/mol
Exact Mass469.31
IUPAC Name6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C31H39N3O/c1-2-17-33(29-15-16-30-27(24-29)9-6-10-31(30)35)21-18-32-19-22-34(23-20-32)28-13-11-26(12-14-28)25-7-4-3-5-8-25/h3-14,29,35H,2,15-24H2,1H3
InChIKeyKLFRUTOTKKRLHR-UHFFFAOYSA-N
XLogP5.45
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(4-Fluorophenyl)-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 3024714
1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol
CID 5287617
1-(4-(Octahydropyrido(1,2-a)pyrazin-2-yl)phenyl)-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11430588
(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 44588498
US10934303, Example 20
CID 137348774
US10934303, Example 30
CID 137628682
7-((2-(4-Phenyl-piperazin-1-yl)-ethyl)-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 10178704
(+)-7-{[4-(4-Phenylpiperazin-1-yl)butyl]prop-2-ynylamino}-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10364677
(+)-7-[(4-(4-Phenylpiperazin-1-yl)butyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22261332
(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754542
2-(3-Hydroxyphenyl)-1-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11201600
2-(3-Fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11339036

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 52941006) is 6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2c(O)cccc2C1.
What is the InChIKey of 6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is KLFRUTOTKKRLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O/c1-2-17-33(29-15-16-30-27(24-29)9-6-10-31(30)35)21-18-32-19-22-34(23-20-32)28-13-11-26(12-14-28)25-7-4-3-5-8-25/h3-14,29,35H,2,15-24H2,1H3.
What are the key properties of 6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 469.67 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 52941006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).