methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate

C13H19N3O2 — CID 66285903

IUPACmethyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2CCNCC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)12-8-11(4-7-15-12)16-9-10-2-5-14-6-3-10/h4,7-8,10,14H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyBUURAEPAGKJWNV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.28
Rot. Bonds4

About methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate

methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate (PubChem CID 66285903) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
PubChem CID66285903
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2CCNCC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)12-8-11(4-7-15-12)16-9-10-2-5-14-6-3-10/h4,7-8,10,14H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyBUURAEPAGKJWNV-UHFFFAOYSA-N
XLogP1.28
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(piperidin-2-ylmethylamino)pyridine-2-carboxylate
CID 66285496
methyl 4-(thiolan-3-ylmethylamino)pyridine-2-carboxylate
CID 107296619
methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate
CID 71926633
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
CID 66287511
methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate
CID 66285860
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
CID 106129174
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
CID 79110249
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646

Frequently Asked Questions

What is the IUPAC name of methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate (CID 66285903) is methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate is COC(=O)c1cc(NCC2CCNCC2)ccn1.
What is the InChIKey of methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate?
The InChIKey is BUURAEPAGKJWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(17)12-8-11(4-7-15-12)16-9-10-2-5-14-6-3-10/h4,7-8,10,14H,2-3,5-6,9H2,1H3,(H,15,16).
What are the key properties of methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate?
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate is sourced from PubChem (CID 66285903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).