4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine

C16H16F2N2O — CID 127245674

IUPAC4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine
SMILESFc1cc(F)cc(CN2CCOC(c3ccccn3)C2)c1
InChIInChI=1S/C16H16F2N2O/c17-13-7-12(8-14(18)9-13)10-20-5-6-21-16(11-20)15-3-1-2-4-19-15/h1-4,7-9,16H,5-6,10-11H2
InChIKeyYCAVIOAORRKNRF-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.93
Rot. Bonds3

About 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine

4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine (PubChem CID 127245674) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine
PubChem CID127245674
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine
SMILESFc1cc(F)cc(CN2CCOC(c3ccccn3)C2)c1
InChIInChI=1S/C16H16F2N2O/c17-13-7-12(8-14(18)9-13)10-20-5-6-21-16(11-20)15-3-1-2-4-19-15/h1-4,7-9,16H,5-6,10-11H2
InChIKeyYCAVIOAORRKNRF-UHFFFAOYSA-N
XLogP2.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629
(2R)-4-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-ylmorpholine
CID 125003279
4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine
CID 110271963
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine
CID 175587211
4-[(4-fluorophenyl)methyl]-2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250272
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
2-methyl-6-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]pyridin-4-amine
CID 124991314
(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine
CID 129402014
(4-fluorophenyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 95844813
(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine
CID 52809539

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine (CID 127245674) is 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine is Fc1cc(F)cc(CN2CCOC(c3ccccn3)C2)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine?
The InChIKey is YCAVIOAORRKNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-13-7-12(8-14(18)9-13)10-20-5-6-21-16(11-20)15-3-1-2-4-19-15/h1-4,7-9,16H,5-6,10-11H2.
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine?
4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine has a molecular weight of 290.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 127245674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).