[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone

C14H21N3O — CID 106753585

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCNCC1CCCN(C(=O)c2ccnc(C)c2)C1
InChIInChI=1S/C14H21N3O/c1-11-8-13(5-6-16-11)14(18)17-7-3-4-12(10-17)9-15-2/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKeyHFKQIOIATXBHRW-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.46
Rot. Bonds3

About [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone

[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone (PubChem CID 106753585) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
PubChem CID106753585
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCNCC1CCCN(C(=O)c2ccnc(C)c2)C1
InChIInChI=1S/C14H21N3O/c1-11-8-13(5-6-16-11)14(18)17-7-3-4-12(10-17)9-15-2/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKeyHFKQIOIATXBHRW-UHFFFAOYSA-N
XLogP1.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397753
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204710
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone (CID 106753585) is [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone is CNCC1CCCN(C(=O)c2ccnc(C)c2)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The InChIKey is HFKQIOIATXBHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-8-13(5-6-16-11)14(18)17-7-3-4-12(10-17)9-15-2/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106753585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).