ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate

C15H22N2O3 — CID 63984544

IUPACethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cccc(OC)n2)CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)12-7-9-17(10-8-12)11-13-5-4-6-14(16-13)19-2/h4-6,12H,3,7-11H2,1-2H3
InChIKeyLAEKFLTZGAPDKD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.87
Rot. Bonds5

About ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate

ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate (PubChem CID 63984544) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
PubChem CID63984544
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cccc(OC)n2)CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)12-7-9-17(10-8-12)11-13-5-4-6-14(16-13)19-2/h4-6,12H,3,7-11H2,1-2H3
InChIKeyLAEKFLTZGAPDKD-UHFFFAOYSA-N
XLogP1.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 53171810
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 84756543
ethyl 1-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]piperidine-4-carboxylate
CID 177214546
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate
CID 4209149

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate (CID 63984544) is ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cccc(OC)n2)CC1.
What is the InChIKey of ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate?
The InChIKey is LAEKFLTZGAPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-15(18)12-7-9-17(10-8-12)11-13-5-4-6-14(16-13)19-2/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 63984544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).