1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone

C12H17N3O2 — CID 56755872

IUPAC1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
SMILESNCC1CN(C(=O)Cc2ccncc2)CCO1
InChIInChI=1S/C12H17N3O2/c13-8-11-9-15(5-6-17-11)12(16)7-10-1-3-14-4-2-10/h1-4,11H,5-9,13H2
InChIKeySLWGJITZBBEYKC-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.19
Rot. Bonds3

About 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone

1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone (PubChem CID 56755872) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
PubChem CID56755872
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
SMILESNCC1CN(C(=O)Cc2ccncc2)CCO1
InChIInChI=1S/C12H17N3O2/c13-8-11-9-15(5-6-17-11)12(16)7-10-1-3-14-4-2-10/h1-4,11H,5-9,13H2
InChIKeySLWGJITZBBEYKC-UHFFFAOYSA-N
XLogP-0.19
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
CID 115535926
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42293003
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208288
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
1-[2-(2-aminoethyl)morpholin-4-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 154908174

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone (CID 56755872) is 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone is NCC1CN(C(=O)Cc2ccncc2)CCO1.
What is the InChIKey of 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone?
The InChIKey is SLWGJITZBBEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-8-11-9-15(5-6-17-11)12(16)7-10-1-3-14-4-2-10/h1-4,11H,5-9,13H2.
What are the key properties of 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone?
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone has a molecular weight of 235.29 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 56755872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).