ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate

C14H20N2O2 — CID 62005482

IUPACethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cccc(C)n2)C1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)12-7-5-9-16(10-12)13-8-4-6-11(2)15-13/h4,6,8,12H,3,5,7,9-10H2,1-2H3
InChIKeySJZLNZVNLPWFSQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.17
Rot. Bonds3

About ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate

ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate (PubChem CID 62005482) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
PubChem CID62005482
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cccc(C)n2)C1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)12-7-5-9-16(10-12)13-8-4-6-11(2)15-13/h4,6,8,12H,3,5,7,9-10H2,1-2H3
InChIKeySJZLNZVNLPWFSQ-UHFFFAOYSA-N
XLogP2.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396
ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 60651536
ethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-3-carboxylate
CID 103204945
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113331246
ethyl 1-phthalazin-1-ylpiperidine-3-carboxylate
CID 60631772
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate (CID 62005482) is ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2cccc(C)n2)C1.
What is the InChIKey of ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate?
The InChIKey is SJZLNZVNLPWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-14(17)12-7-5-9-16(10-12)13-8-4-6-11(2)15-13/h4,6,8,12H,3,5,7,9-10H2,1-2H3.
What are the key properties of ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate?
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 62005482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).