methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate

C14H20N2O3 — CID 83212715

IUPACmethyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COCC2CCCNC2)nc1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)12-4-5-13(16-8-12)10-19-9-11-3-2-6-15-7-11/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3
InChIKeyKTANATOEQAZRLD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.38
Rot. Bonds5

About methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate

methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate (PubChem CID 83212715) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
PubChem CID83212715
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COCC2CCCNC2)nc1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)12-4-5-13(16-8-12)10-19-9-11-3-2-6-15-7-11/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3
InChIKeyKTANATOEQAZRLD-UHFFFAOYSA-N
XLogP1.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-6-(piperidin-3-ylmethoxymethyl)pyridazine
CID 114268734
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride
CID 56831193
methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 106940607
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate
CID 106132514

Frequently Asked Questions

What is the IUPAC name of methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate (CID 83212715) is methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate is COC(=O)c1ccc(COCC2CCCNC2)nc1.
What is the InChIKey of methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate?
The InChIKey is KTANATOEQAZRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-14(17)12-4-5-13(16-8-12)10-19-9-11-3-2-6-15-7-11/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3.
What are the key properties of methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate?
methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 83212715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).