methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate

C15H23N3O2 — CID 106905069

IUPACmethyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCNCC1CCCCN1Cc1cccc(C(=O)OC)n1
InChIInChI=1S/C15H23N3O2/c1-16-10-13-7-3-4-9-18(13)11-12-6-5-8-14(17-12)15(19)20-2/h5-6,8,13,16H,3-4,7,9-11H2,1-2H3
InChIKeyCZRKEGUDULGHPK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds5

About methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate

methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 106905069) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
PubChem CID106905069
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCNCC1CCCCN1Cc1cccc(C(=O)OC)n1
InChIInChI=1S/C15H23N3O2/c1-16-10-13-7-3-4-9-18(13)11-12-6-5-8-14(17-12)15(19)20-2/h5-6,8,13,16H,3-4,7,9-11H2,1-2H3
InChIKeyCZRKEGUDULGHPK-UHFFFAOYSA-N
XLogP1.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905300
methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 169097481
N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 113328848
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 106904012
methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905061
N-[4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 63250166
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905086
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 81318609

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate (CID 106905069) is methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate is CNCC1CCCCN1Cc1cccc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is CZRKEGUDULGHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-10-13-7-3-4-9-18(13)11-12-6-5-8-14(17-12)15(19)20-2/h5-6,8,13,16H,3-4,7,9-11H2,1-2H3.
What are the key properties of methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).