[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone

C13H19N3O — CID 63249644

IUPAC[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCNCC1CCCCN1C(=O)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-14-10-12-4-2-3-9-16(12)13(17)11-5-7-15-8-6-11/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyNDAXETKKLPDKCN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.30
Rot. Bonds3

About [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone

[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 63249644) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID63249644
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCNCC1CCCCN1C(=O)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-14-10-12-4-2-3-9-16(12)13(17)11-5-7-15-8-6-11/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyNDAXETKKLPDKCN-UHFFFAOYSA-N
XLogP1.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107704932
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 105064068
(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650241
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 115270933
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 63249644) is [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone is CNCC1CCCCN1C(=O)c1ccncc1.
What is the InChIKey of [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is NDAXETKKLPDKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-10-12-4-2-3-9-16(12)13(17)11-5-7-15-8-6-11/h5-8,12,14H,2-4,9-10H2,1H3.
What are the key properties of [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 63249644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).