methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate

C13H19N3O2 — CID 59290933

IUPACmethyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCN(C)CC2)n1
InChIInChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-4-3-5-12(14-11)13(17)18-2/h3-5H,6-10H2,1-2H3
InChIKeyKGUVMFARYBCBLV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.62
Rot. Bonds3

About methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate

methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate (PubChem CID 59290933) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
PubChem CID59290933
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCN(C)CC2)n1
InChIInChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-4-3-5-12(14-11)13(17)18-2/h3-5H,6-10H2,1-2H3
InChIKeyKGUVMFARYBCBLV-UHFFFAOYSA-N
XLogP0.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(6-methoxycarbonyl-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 170903622
methyl 6-[[7-[(6-acetyloxy-2-pyridinyl)methyl]-4-methyl-10-[[4-(methylamino)phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate
CID 145093390
methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905061
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
6-[[3-[(6-methoxycarbonyl-2-pyridinyl)methyl]-9-[(6-methyl-2-pyridinyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]methyl]pyridine-2-carboxylic acid
CID 153484978
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905151
methyl 6-[[(1S,18R)-14-[(6-methoxycarbonyl-2-pyridinyl)methyl]-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.3.0]henicosan-5-yl]methyl]pyridine-2-carboxylate
CID 155283747
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 169097481
methyl 6-[[(2R)-2-(hydroxymethyl)-16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate
CID 155283748
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate (CID 59290933) is methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCN(C)CC2)n1.
What is the InChIKey of methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate?
The InChIKey is KGUVMFARYBCBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-4-3-5-12(14-11)13(17)18-2/h3-5H,6-10H2,1-2H3.
What are the key properties of methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 59290933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).