methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate

C15H23N3O2 — CID 106905086

IUPACmethyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CC(CN)CCC2C)n1
InChIInChI=1S/C15H23N3O2/c1-11-6-7-12(8-16)9-18(11)10-13-4-3-5-14(17-13)15(19)20-2/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeyCMNYBZWJPSKSIV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.43
Rot. Bonds4

About methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate

methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 106905086) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate
PubChem CID106905086
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CC(CN)CCC2C)n1
InChIInChI=1S/C15H23N3O2/c1-11-6-7-12(8-16)9-18(11)10-13-4-3-5-14(17-13)15(19)20-2/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeyCMNYBZWJPSKSIV-UHFFFAOYSA-N
XLogP1.43
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905061
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905300
methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905151
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905069
[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 82893021
[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486064
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
CID 106905132
6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904290
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate (CID 106905086) is methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CC(CN)CCC2C)n1.
What is the InChIKey of methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is CMNYBZWJPSKSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-6-7-12(8-16)9-18(11)10-13-4-3-5-14(17-13)15(19)20-2/h3-5,11-12H,6-10,16H2,1-2H3.
What are the key properties of methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).