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

C14H21N3O2 — CID 106905061

IUPACmethyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCC(CN)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)13-4-2-3-12(16-13)10-17-7-5-11(9-15)6-8-17/h2-4,11H,5-10,15H2,1H3
InChIKeyHUHIQHKEQWIRLH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.04
Rot. Bonds4

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

methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 106905061) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
PubChem CID106905061
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCC(CN)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)13-4-2-3-12(16-13)10-17-7-5-11(9-15)6-8-17/h2-4,11H,5-10,15H2,1H3
InChIKeyHUHIQHKEQWIRLH-UHFFFAOYSA-N
XLogP1.04
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905086
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
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
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
tert-butyl 4-[(6-methoxycarbonyl-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 170903622
methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905300
methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
CID 106905132
6-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909004
methyl 6-[[20-(acetyloxymethyl)-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 164765904

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate (CID 106905061) is methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCC(CN)CC2)n1.
What is the InChIKey of methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is HUHIQHKEQWIRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14(18)13-4-2-3-12(16-13)10-17-7-5-11(9-15)6-8-17/h2-4,11H,5-10,15H2,1H3.
What are the key properties of methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).