1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid

C17H24N2O4 — CID 82583030

IUPAC1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid
SMILESCOc1cc2c(c(N3CCC(C(=O)O)CC3)c1OC)CCNC2
InChIInChI=1S/C17H24N2O4/c1-22-14-9-12-10-18-6-3-13(12)15(16(14)23-2)19-7-4-11(5-8-19)17(20)21/h9,11,18H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyIDGPLYLCCSLRNS-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.65
Rot. Bonds4

About 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid

1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid (PubChem CID 82583030) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid
PubChem CID82583030
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid
SMILESCOc1cc2c(c(N3CCC(C(=O)O)CC3)c1OC)CCNC2
InChIInChI=1S/C17H24N2O4/c1-22-14-9-12-10-18-6-3-13(12)15(16(14)23-2)19-7-4-11(5-8-19)17(20)21/h9,11,18H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyIDGPLYLCCSLRNS-UHFFFAOYSA-N
XLogP1.65
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid (CID 82583030) is 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid is COc1cc2c(c(N3CCC(C(=O)O)CC3)c1OC)CCNC2.
What is the InChIKey of 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid?
The InChIKey is IDGPLYLCCSLRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-14-9-12-10-18-6-3-13(12)15(16(14)23-2)19-7-4-11(5-8-19)17(20)21/h9,11,18H,3-8,10H2,1-2H3,(H,20,21).
What are the key properties of 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid?
1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82583030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).