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

C14H21N3O2 — CID 66287702

IUPACmethyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCNCC1CCN(c2ccnc(C(=O)OC)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-15-10-11-4-7-17(8-5-11)12-3-6-16-13(9-12)14(18)19-2/h3,6,9,11,15H,4-5,7-8,10H2,1-2H3
InChIKeyVFFVOWAZKQGXKY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.30
Rot. Bonds4

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

methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 66287702) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate
PubChem CID66287702
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCNCC1CCN(c2ccnc(C(=O)OC)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-15-10-11-4-7-17(8-5-11)12-3-6-16-13(9-12)14(18)19-2/h3,6,9,11,15H,4-5,7-8,10H2,1-2H3
InChIKeyVFFVOWAZKQGXKY-UHFFFAOYSA-N
XLogP1.30
TPSA54.46 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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
CID 115538410
methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate
CID 66285504
[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 22052415
4-ethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 136520406
N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 131927095
4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 171704184
methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate
CID 71926633
tert-butyl N-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 121204851
N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736284
3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66286395
4-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734
methyl 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-2-carboxylate
CID 102683433

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate (CID 66287702) is methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate is CNCC1CCN(c2ccnc(C(=O)OC)c2)CC1.
What is the InChIKey of methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is VFFVOWAZKQGXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-10-11-4-7-17(8-5-11)12-3-6-16-13(9-12)14(18)19-2/h3,6,9,11,15H,4-5,7-8,10H2,1-2H3.
What are the key properties of methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate?
methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 66287702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).