7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C18H22N4O — CID 14480002

IUPAC7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CC(N1CCN(c3ncccn3)CC1)CC2
InChIInChI=1S/C18H22N4O/c23-17-4-1-3-14-5-6-15(13-16(14)17)21-9-11-22(12-10-21)18-19-7-2-8-20-18/h1-4,7-8,15,23H,5-6,9-13H2
InChIKeyAUSHKQLRRKSQLF-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.86
Rot. Bonds2

About 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 14480002) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID14480002
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CC(N1CCN(c3ncccn3)CC1)CC2
InChIInChI=1S/C18H22N4O/c23-17-4-1-3-14-5-6-15(13-16(14)17)21-9-11-22(12-10-21)18-19-7-2-8-20-18/h1-4,7-8,15,23H,5-6,9-13H2
InChIKeyAUSHKQLRRKSQLF-UHFFFAOYSA-N
XLogP1.86
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 14480002) is 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CC(N1CCN(c3ncccn3)CC1)CC2.
What is the InChIKey of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is AUSHKQLRRKSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17-4-1-3-14-5-6-15(13-16(14)17)21-9-11-22(12-10-21)18-19-7-2-8-20-18/h1-4,7-8,15,23H,5-6,9-13H2.
What are the key properties of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 310.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 14480002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).