methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate

C16H25N3O2 — CID 106905056

IUPACmethyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate
SMILESCCCN(Cc1cccc(C(=O)OC)n1)C1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-3-11-19(14-7-9-17-10-8-14)12-13-5-4-6-15(18-13)16(20)21-2/h4-6,14,17H,3,7-12H2,1-2H3
InChIKeyFEZGWPBJJAGRCC-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.83
Rot. Bonds6

About methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate

methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate (PubChem CID 106905056) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate
PubChem CID106905056
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Namemethyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate
SMILESCCCN(Cc1cccc(C(=O)OC)n1)C1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-3-11-19(14-7-9-17-10-8-14)12-13-5-4-6-15(18-13)16(20)21-2/h4-6,14,17H,3,7-12H2,1-2H3
InChIKeyFEZGWPBJJAGRCC-UHFFFAOYSA-N
XLogP1.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[piperidin-4-yl(propyl)amino]methyl]benzoate;hydrochloride
CID 120835573
6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904048
6-[[cyclopropyl(2-methoxyethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909183
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
CID 83841955
methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate
CID 155721260
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate
CID 60805783
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909404
methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
CID 119933024
methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
CID 106905121

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate (CID 106905056) is methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate is CCCN(Cc1cccc(C(=O)OC)n1)C1CCNCC1.
What is the InChIKey of methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate?
The InChIKey is FEZGWPBJJAGRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-11-19(14-7-9-17-10-8-14)12-13-5-4-6-15(18-13)16(20)21-2/h4-6,14,17H,3,7-12H2,1-2H3.
What are the key properties of methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate?
methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).