6-bromo-7-piperidin-4-yloxyisoquinoline

C14H15BrN2O — CID 42618145

IUPAC6-bromo-7-piperidin-4-yloxyisoquinoline
SMILESBrc1cc2ccncc2cc1OC1CCNCC1
InChIInChI=1S/C14H15BrN2O/c15-13-7-10-1-4-17-9-11(10)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-9,12,16H,2-3,5-6H2
InChIKeyYYHDSZUOLCNFGQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.13
Rot. Bonds2

About 6-bromo-7-piperidin-4-yloxyisoquinoline

6-bromo-7-piperidin-4-yloxyisoquinoline (PubChem CID 42618145) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-7-piperidin-4-yloxyisoquinoline.

Molecular Properties

Compound Name6-bromo-7-piperidin-4-yloxyisoquinoline
PubChem CID42618145
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name6-bromo-7-piperidin-4-yloxyisoquinoline
SMILESBrc1cc2ccncc2cc1OC1CCNCC1
InChIInChI=1S/C14H15BrN2O/c15-13-7-10-1-4-17-9-11(10)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-9,12,16H,2-3,5-6H2
InChIKeyYYHDSZUOLCNFGQ-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-piperidin-4-yloxyisoquinoline?
The IUPAC name of 6-bromo-7-piperidin-4-yloxyisoquinoline (CID 42618145) is 6-bromo-7-piperidin-4-yloxyisoquinoline.
What is the SMILES notation for 6-bromo-7-piperidin-4-yloxyisoquinoline?
The canonical SMILES for 6-bromo-7-piperidin-4-yloxyisoquinoline is Brc1cc2ccncc2cc1OC1CCNCC1.
What is the InChIKey of 6-bromo-7-piperidin-4-yloxyisoquinoline?
The InChIKey is YYHDSZUOLCNFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-13-7-10-1-4-17-9-11(10)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-9,12,16H,2-3,5-6H2.
What are the key properties of 6-bromo-7-piperidin-4-yloxyisoquinoline?
6-bromo-7-piperidin-4-yloxyisoquinoline has a molecular weight of 307.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-piperidin-4-yloxyisoquinoline is sourced from PubChem (CID 42618145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).