6-phenyl-7-piperidin-3-yloxyisoquinoline

C20H20N2O — CID 42618153

IUPAC6-phenyl-7-piperidin-3-yloxyisoquinoline
SMILESc1ccc(-c2cc3ccncc3cc2OC2CCCNC2)cc1
InChIInChI=1S/C20H20N2O/c1-2-5-15(6-3-1)19-11-16-8-10-22-13-17(16)12-20(19)23-18-7-4-9-21-14-18/h1-3,5-6,8,10-13,18,21H,4,7,9,14H2
InChIKeyQRYICOPVFJOJAO-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.03
Rot. Bonds3

About 6-phenyl-7-piperidin-3-yloxyisoquinoline

6-phenyl-7-piperidin-3-yloxyisoquinoline (PubChem CID 42618153) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-phenyl-7-piperidin-3-yloxyisoquinoline.

Molecular Properties

Compound Name6-phenyl-7-piperidin-3-yloxyisoquinoline
PubChem CID42618153
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name6-phenyl-7-piperidin-3-yloxyisoquinoline
SMILESc1ccc(-c2cc3ccncc3cc2OC2CCCNC2)cc1
InChIInChI=1S/C20H20N2O/c1-2-5-15(6-3-1)19-11-16-8-10-22-13-17(16)12-20(19)23-18-7-4-9-21-14-18/h1-3,5-6,8,10-13,18,21H,4,7,9,14H2
InChIKeyQRYICOPVFJOJAO-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-piperidin-3-yloxyisoquinoline?
The IUPAC name of 6-phenyl-7-piperidin-3-yloxyisoquinoline (CID 42618153) is 6-phenyl-7-piperidin-3-yloxyisoquinoline.
What is the SMILES notation for 6-phenyl-7-piperidin-3-yloxyisoquinoline?
The canonical SMILES for 6-phenyl-7-piperidin-3-yloxyisoquinoline is c1ccc(-c2cc3ccncc3cc2OC2CCCNC2)cc1.
What is the InChIKey of 6-phenyl-7-piperidin-3-yloxyisoquinoline?
The InChIKey is QRYICOPVFJOJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-5-15(6-3-1)19-11-16-8-10-22-13-17(16)12-20(19)23-18-7-4-9-21-14-18/h1-3,5-6,8,10-13,18,21H,4,7,9,14H2.
What are the key properties of 6-phenyl-7-piperidin-3-yloxyisoquinoline?
6-phenyl-7-piperidin-3-yloxyisoquinoline has a molecular weight of 304.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7-piperidin-3-yloxyisoquinoline is sourced from PubChem (CID 42618153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).