7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C20H24N2O — CID 90656673

IUPAC7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CC(N1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C20H24N2O/c23-20-8-4-5-16-9-10-18(15-19(16)20)22-13-11-21(12-14-22)17-6-2-1-3-7-17/h1-8,18,23H,9-15H2
InChIKeyCEUYNVSERROQDN-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.07
Rot. Bonds2

About 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 90656673) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID90656673
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CC(N1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C20H24N2O/c23-20-8-4-5-16-9-10-18(15-19(16)20)22-13-11-21(12-14-22)17-6-2-1-3-7-17/h1-8,18,23H,9-15H2
InChIKeyCEUYNVSERROQDN-UHFFFAOYSA-N
XLogP3.07
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 3024714
(R)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754478
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
4-(2-(Diethylamino)ethylamino)-1-naphthol
CID 44466196
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 90656673) is 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CC(N1CCN(c3ccccc3)CC1)CC2.
What is the InChIKey of 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is CEUYNVSERROQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20-8-4-5-16-9-10-18(15-19(16)20)22-13-11-21(12-14-22)17-6-2-1-3-7-17/h1-8,18,23H,9-15H2.
What are the key properties of 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 308.43 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 90656673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).