(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline

C17H26N2O3 — CID 9170039

IUPAC(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1OC)CNC[C@@H]2N1CCCCC1
InChIInChI=1S/C17H26N2O3/c1-20-15-9-12-13(16(21-2)17(15)22-3)10-18-11-14(12)19-7-5-4-6-8-19/h9,14,18H,4-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyGJAJYSNITDVIOB-AWEZNQCLSA-N
MW306.41 g/mol
LogP2.34
Rot. Bonds4

About (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline

(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9170039) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID9170039
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1OC)CNC[C@@H]2N1CCCCC1
InChIInChI=1S/C17H26N2O3/c1-20-15-9-12-13(16(21-2)17(15)22-3)10-18-11-14(12)19-7-5-4-6-8-19/h9,14,18H,4-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyGJAJYSNITDVIOB-AWEZNQCLSA-N
XLogP2.34
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline (CID 9170039) is (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(c(OC)c1OC)CNC[C@@H]2N1CCCCC1.
What is the InChIKey of (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GJAJYSNITDVIOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-20-15-9-12-13(16(21-2)17(15)22-3)10-18-11-14(12)19-7-5-4-6-8-19/h9,14,18H,4-8,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 306.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9170039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).