4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid

C15H18N2O3 — CID 82667478

IUPAC4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
SMILESCc1cccc2cc(C3CC(O)C(C(=O)O)CN3)[nH]c12
InChIInChI=1S/C15H18N2O3/c1-8-3-2-4-9-5-12(17-14(8)9)11-6-13(18)10(7-16-11)15(19)20/h2-5,10-11,13,16-18H,6-7H2,1H3,(H,19,20)
InChIKeyIBFZLHJKZKRWRQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds2

About 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid

4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid (PubChem CID 82667478) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
PubChem CID82667478
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
SMILESCc1cccc2cc(C3CC(O)C(C(=O)O)CN3)[nH]c12
InChIInChI=1S/C15H18N2O3/c1-8-3-2-4-9-5-12(17-14(8)9)11-6-13(18)10(7-16-11)15(19)20/h2-5,10-11,13,16-18H,6-7H2,1H3,(H,19,20)
InChIKeyIBFZLHJKZKRWRQ-UHFFFAOYSA-N
XLogP1.57
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid (CID 82667478) is 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid is Cc1cccc2cc(C3CC(O)C(C(=O)O)CN3)[nH]c12.
What is the InChIKey of 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is IBFZLHJKZKRWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-8-3-2-4-9-5-12(17-14(8)9)11-6-13(18)10(7-16-11)15(19)20/h2-5,10-11,13,16-18H,6-7H2,1H3,(H,19,20).
What are the key properties of 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid?
4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 82667478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).