6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline

C15H20N2O — CID 18172389

IUPAC6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)CCN=C2C1CCNCC1
InChIInChI=1S/C15H20N2O/c1-18-13-2-3-14-12(10-13)6-9-17-15(14)11-4-7-16-8-5-11/h2-3,10-11,16H,4-9H2,1H3
InChIKeyYJTIECUTKMLEMH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.04
Rot. Bonds2

About 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline

6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline (PubChem CID 18172389) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline
PubChem CID18172389
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)CCN=C2C1CCNCC1
InChIInChI=1S/C15H20N2O/c1-18-13-2-3-14-12(10-13)6-9-17-15(14)11-4-7-16-8-5-11/h2-3,10-11,16H,4-9H2,1H3
InChIKeyYJTIECUTKMLEMH-UHFFFAOYSA-N
XLogP2.04
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline?
The IUPAC name of 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline (CID 18172389) is 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline is COc1ccc2c(c1)CCN=C2C1CCNCC1.
What is the InChIKey of 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline?
The InChIKey is YJTIECUTKMLEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-13-2-3-14-12(10-13)6-9-17-15(14)11-4-7-16-8-5-11/h2-3,10-11,16H,4-9H2,1H3.
What are the key properties of 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline?
6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline has a molecular weight of 244.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 18172389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).