[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone

C13H18FN3O2 — CID 114782009

IUPAC[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ccncc2F)CC(CN)O1
InChIInChI=1S/C13H18FN3O2/c1-13(2)8-17(7-9(5-15)19-13)12(18)10-3-4-16-6-11(10)14/h3-4,6,9H,5,7-8,15H2,1-2H3
InChIKeyKXLRAJDFVFBOJE-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.80
Rot. Bonds2

About [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 114782009) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID114782009
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ccncc2F)CC(CN)O1
InChIInChI=1S/C13H18FN3O2/c1-13(2)8-17(7-9(5-15)19-13)12(18)10-3-4-16-6-11(10)14/h3-4,6,9H,5,7-8,15H2,1-2H3
InChIKeyKXLRAJDFVFBOJE-UHFFFAOYSA-N
XLogP0.80
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
(2-amino-4,5-difluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776082
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 114781299
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691468
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114782050
(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115646200
(2-amino-5-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 114781975
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 114782065

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone (CID 114782009) is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone is CC1(C)CN(C(=O)c2ccncc2F)CC(CN)O1.
What is the InChIKey of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is KXLRAJDFVFBOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-13(2)8-17(7-9(5-15)19-13)12(18)10-3-4-16-6-11(10)14/h3-4,6,9H,5,7-8,15H2,1-2H3.
What are the key properties of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone?
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 267.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 114782009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).