6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride

C16H22Cl2N2O — CID 44596838

IUPAC6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride
SMILESCOc1ccc2cnc(C3CCNCC3)cc2c1C.Cl.Cl
InChIInChI=1S/C16H20N2O.2ClH/c1-11-14-9-15(12-5-7-17-8-6-12)18-10-13(14)3-4-16(11)19-2;;/h3-4,9-10,12,17H,5-8H2,1-2H3;2*1H
InChIKeyKEPIEGQIUUORJC-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.86
Rot. Bonds2

About 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride

6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride (PubChem CID 44596838) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride.

Molecular Properties

Compound Name6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride
PubChem CID44596838
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride
SMILESCOc1ccc2cnc(C3CCNCC3)cc2c1C.Cl.Cl
InChIInChI=1S/C16H20N2O.2ClH/c1-11-14-9-15(12-5-7-17-8-6-12)18-10-13(14)3-4-16(11)19-2;;/h3-4,9-10,12,17H,5-8H2,1-2H3;2*1H
InChIKeyKEPIEGQIUUORJC-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride?
The IUPAC name of 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride (CID 44596838) is 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride.
What is the SMILES notation for 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride?
The canonical SMILES for 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride is COc1ccc2cnc(C3CCNCC3)cc2c1C.Cl.Cl.
What is the InChIKey of 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride?
The InChIKey is KEPIEGQIUUORJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.2ClH/c1-11-14-9-15(12-5-7-17-8-6-12)18-10-13(14)3-4-16(11)19-2;;/h3-4,9-10,12,17H,5-8H2,1-2H3;2*1H.
What are the key properties of 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride?
6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride has a molecular weight of 329.27 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride is sourced from PubChem (CID 44596838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).