methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate

C17H20N2O2 — CID 115538397

IUPACmethyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cc(C)nc3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c1-12-10-16(14-7-3-4-8-15(14)18-12)19-9-5-6-13(11-19)17(20)21-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3
InChIKeyJWQDOMPLOXRMGM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.93
Rot. Bonds2

About methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate

methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate (PubChem CID 115538397) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
PubChem CID115538397
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cc(C)nc3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c1-12-10-16(14-7-3-4-8-15(14)18-12)19-9-5-6-13(11-19)17(20)21-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3
InChIKeyJWQDOMPLOXRMGM-UHFFFAOYSA-N
XLogP2.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
CID 122106797
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate
CID 23477113
butyl 3-[4-(2-methylquinolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 172745007
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 78995219
2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid
CID 7138041

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate (CID 115538397) is methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2cc(C)nc3ccccc23)C1.
What is the InChIKey of methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate?
The InChIKey is JWQDOMPLOXRMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-10-16(14-7-3-4-8-15(14)18-12)19-9-5-6-13(11-19)17(20)21-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3.
What are the key properties of methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate?
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 115538397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).