(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate

C16H22N2O2 — CID 106902774

IUPAC(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCN1CCC(OC(=O)C2CNc3ccccc3C2)CC1
InChIInChI=1S/C16H22N2O2/c1-18-8-6-14(7-9-18)20-16(19)13-10-12-4-2-3-5-15(12)17-11-13/h2-5,13-14,17H,6-11H2,1H3
InChIKeyPAMLWODKHYQJQE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.91
Rot. Bonds2

About (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate

(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate (PubChem CID 106902774) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate
PubChem CID106902774
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCN1CCC(OC(=O)C2CNc3ccccc3C2)CC1
InChIInChI=1S/C16H22N2O2/c1-18-8-6-14(7-9-18)20-16(19)13-10-12-4-2-3-5-15(12)17-11-13/h2-5,13-14,17H,6-11H2,1H3
InChIKeyPAMLWODKHYQJQE-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902751
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
octacosyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 11599455
3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
CID 118462093
(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 79180699
octan-2-yl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902768
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106586999
N-cyclobutyl-N-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901759
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902806
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901703

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate (CID 106902774) is (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate is CN1CCC(OC(=O)C2CNc3ccccc3C2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The InChIKey is PAMLWODKHYQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-8-6-14(7-9-18)20-16(19)13-10-12-4-2-3-5-15(12)17-11-13/h2-5,13-14,17H,6-11H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate?
(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 106902774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).