methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate

C14H20N2O3 — CID 106905294

IUPACmethyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCC(O)C(C)C2)n1
InChIInChI=1S/C14H20N2O3/c1-10-8-16(7-6-13(10)17)9-11-4-3-5-12(15-11)14(18)19-2/h3-5,10,13,17H,6-9H2,1-2H3
InChIKeyRDNKWNSZUIYXBT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds3

About methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate

methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate (PubChem CID 106905294) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
PubChem CID106905294
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCC(O)C(C)C2)n1
InChIInChI=1S/C14H20N2O3/c1-10-8-16(7-6-13(10)17)9-11-4-3-5-12(15-11)14(18)19-2/h3-5,10,13,17H,6-9H2,1-2H3
InChIKeyRDNKWNSZUIYXBT-UHFFFAOYSA-N
XLogP1.07
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905061
methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905151
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905300
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905086
methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
CID 106905132
tert-butyl 4-[(6-methoxycarbonyl-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 170903622
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-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909097
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate (CID 106905294) is methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCC(O)C(C)C2)n1.
What is the InChIKey of methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate?
The InChIKey is RDNKWNSZUIYXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-8-16(7-6-13(10)17)9-11-4-3-5-12(15-11)14(18)19-2/h3-5,10,13,17H,6-9H2,1-2H3.
What are the key properties of methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).