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

C13H18N2O3 — CID 113331246

IUPACmethyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cccc(OC)n2)C1
InChIInChI=1S/C13H18N2O3/c1-17-12-7-3-6-11(14-12)15-8-4-5-10(9-15)13(16)18-2/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyWWLQNFVUYODWJX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.48
Rot. Bonds3

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

methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate (PubChem CID 113331246) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
PubChem CID113331246
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cccc(OC)n2)C1
InChIInChI=1S/C13H18N2O3/c1-17-12-7-3-6-11(14-12)15-8-4-5-10(9-15)13(16)18-2/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyWWLQNFVUYODWJX-UHFFFAOYSA-N
XLogP1.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 115538400
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine
CID 63587814
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750
methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
CID 108773382
2-[3-(2-chloroethyl)piperidin-1-yl]-6-methoxypyridine
CID 55212396
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate (CID 113331246) is methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2cccc(OC)n2)C1.
What is the InChIKey of methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate?
The InChIKey is WWLQNFVUYODWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-12-7-3-6-11(14-12)15-8-4-5-10(9-15)13(16)18-2/h3,6-7,10H,4-5,8-9H2,1-2H3.
What are the key properties of methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate?
methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 113331246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).