1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid

C17H24N2O2 — CID 82255711

IUPAC1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H24N2O2/c20-17(21)14-6-10-19(11-7-14)9-5-13-3-4-16-15(12-13)2-1-8-18-16/h3-4,12,14,18H,1-2,5-11H2,(H,20,21)
InChIKeyAZZIACMRPXMLGJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid

1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 82255711) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID82255711
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H24N2O2/c20-17(21)14-6-10-19(11-7-14)9-5-13-3-4-16-15(12-13)2-1-8-18-16/h3-4,12,14,18H,1-2,5-11H2,(H,20,21)
InChIKeyAZZIACMRPXMLGJ-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82255755
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 82255773
6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 82255709
1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid
CID 82255857
1-[2-(3-bromophenyl)ethyl]piperidine-4-carboxylic acid
CID 95404985
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid
CID 82260327
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
6-(2-cyclohexylethyl)-1,2,3,4-tetrahydroquinoline
CID 114192887

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid (CID 82255711) is 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCc2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is AZZIACMRPXMLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(21)14-6-10-19(11-7-14)9-5-13-3-4-16-15(12-13)2-1-8-18-16/h3-4,12,14,18H,1-2,5-11H2,(H,20,21).
What are the key properties of 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid?
1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82255711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).