[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone

C12H17N3O2 — CID 81484704

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
SMILESCC(N)C1CN(C(=O)c2ccncc2)CCO1
InChIInChI=1S/C12H17N3O2/c1-9(13)11-8-15(6-7-17-11)12(16)10-2-4-14-5-3-10/h2-5,9,11H,6-8,13H2,1H3
InChIKeyYUKQGPHHXXMLJR-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.27
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone

[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone (PubChem CID 81484704) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
PubChem CID81484704
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
SMILESCC(N)C1CN(C(=O)c2ccncc2)CCO1
InChIInChI=1S/C12H17N3O2/c1-9(13)11-8-15(6-7-17-11)12(16)10-2-4-14-5-3-10/h2-5,9,11H,6-8,13H2,1H3
InChIKeyYUKQGPHHXXMLJR-UHFFFAOYSA-N
XLogP0.27
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 81424177
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 113284997
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 81484800
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81485230

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone (CID 81484704) is [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone is CC(N)C1CN(C(=O)c2ccncc2)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone?
The InChIKey is YUKQGPHHXXMLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(13)11-8-15(6-7-17-11)12(16)10-2-4-14-5-3-10/h2-5,9,11H,6-8,13H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone?
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone has a molecular weight of 235.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 81484704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).