methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate

C17H20N2O2 — CID 115537032

IUPACmethyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c1-21-17(20)14-5-4-10-19(12-14)11-13-8-9-18-16-7-3-2-6-15(13)16/h2-3,6-9,14H,4-5,10-12H2,1H3
InChIKeyFESCIIPGTYBRRY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.62
Rot. Bonds3

About methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate

methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate (PubChem CID 115537032) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
PubChem CID115537032
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c1-21-17(20)14-5-4-10-19(12-14)11-13-8-9-18-16-7-3-2-6-15(13)16/h2-3,6-9,14H,4-5,10-12H2,1H3
InChIKeyFESCIIPGTYBRRY-UHFFFAOYSA-N
XLogP2.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
methyl (3S)-1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 115537508
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
methyl (3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxylate
CID 79047230
2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 131922151
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
CID 79046872
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395

Frequently Asked Questions

What is the IUPAC name of methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate (CID 115537032) is methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate is COC(=O)C1CCCN(Cc2ccnc3ccccc23)C1.
What is the InChIKey of methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate?
The InChIKey is FESCIIPGTYBRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-17(20)14-5-4-10-19(12-14)11-13-8-9-18-16-7-3-2-6-15(13)16/h2-3,6-9,14H,4-5,10-12H2,1H3.
What are the key properties of methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate?
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 115537032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).