1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one

C14H21N3O2 — CID 115270907

IUPAC1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one
SMILESNCC1COCCN1C(=O)CCCc1ccccn1
InChIInChI=1S/C14H21N3O2/c15-10-13-11-19-9-8-17(13)14(18)6-3-5-12-4-1-2-7-16-12/h1-2,4,7,13H,3,5-6,8-11,15H2
InChIKeyOEYLXWNSYURHAY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.59
Rot. Bonds5

About 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one

1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one (PubChem CID 115270907) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one
PubChem CID115270907
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one
SMILESNCC1COCCN1C(=O)CCCc1ccccn1
InChIInChI=1S/C14H21N3O2/c15-10-13-11-19-9-8-17(13)14(18)6-3-5-12-4-1-2-7-16-12/h1-2,4,7,13H,3,5-6,8-11,15H2
InChIKeyOEYLXWNSYURHAY-UHFFFAOYSA-N
XLogP0.59
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 112537732
2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid
CID 118796116
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 119632151
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95339985
tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107249690
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
2-[4-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]morpholin-3-yl]acetamide
CID 56883943
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
CID 110133432

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one (CID 115270907) is 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one is NCC1COCCN1C(=O)CCCc1ccccn1.
What is the InChIKey of 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is OEYLXWNSYURHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-10-13-11-19-9-8-17(13)14(18)6-3-5-12-4-1-2-7-16-12/h1-2,4,7,13H,3,5-6,8-11,15H2.
What are the key properties of 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one?
1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 115270907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).