[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone

C14H21N3O2 — CID 112622228

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCOC1CCN(C(=O)c2cncc(C)c2)C(CN)C1
InChIInChI=1S/C14H21N3O2/c1-10-5-11(9-16-8-10)14(18)17-4-3-13(19-2)6-12(17)7-15/h5,8-9,12-13H,3-4,6-7,15H2,1-2H3
InChIKeyYJZXRNAZSMXCAP-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.97
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone (PubChem CID 112622228) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
PubChem CID112622228
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCOC1CCN(C(=O)c2cncc(C)c2)C(CN)C1
InChIInChI=1S/C14H21N3O2/c1-10-5-11(9-16-8-10)14(18)17-4-3-13(19-2)6-12(17)7-15/h5,8-9,12-13H,3-4,6-7,15H2,1-2H3
InChIKeyYJZXRNAZSMXCAP-UHFFFAOYSA-N
XLogP0.97
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 115963404
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 115963439
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 115963268
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671747
[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 99714903
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(4-chloro-1-methylpyrrol-2-yl)methanone
CID 112622341
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 112622301
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 112622199
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119033810
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 115963362

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone (CID 112622228) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone is COC1CCN(C(=O)c2cncc(C)c2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The InChIKey is YJZXRNAZSMXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-5-11(9-16-8-10)14(18)17-4-3-13(19-2)6-12(17)7-15/h5,8-9,12-13H,3-4,6-7,15H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 112622228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).