4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine

C16H17FN2O — CID 175587211

IUPAC4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine
SMILES[2H]C1([2H])COC(c2ccc(F)cn2)CN1Cc1ccccc1
InChIInChI=1S/C16H17FN2O/c17-14-6-7-15(18-10-14)16-12-19(8-9-20-16)11-13-4-2-1-3-5-13/h1-7,10,16H,8-9,11-12H2/i8D2
InChIKeyPDLKLYSEMKDIPP-MGVXTIMCSA-N
MW274.34 g/mol
LogP2.79
Rot. Bonds3

About 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine

4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine (PubChem CID 175587211) has the molecular formula C16H17FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine
PubChem CID175587211
Molecular FormulaC16H17FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine
SMILES[2H]C1([2H])COC(c2ccc(F)cn2)CN1Cc1ccccc1
InChIInChI=1S/C16H17FN2O/c17-14-6-7-15(18-10-14)16-12-19(8-9-20-16)11-13-4-2-1-3-5-13/h1-7,10,16H,8-9,11-12H2/i8D2
InChIKeyPDLKLYSEMKDIPP-MGVXTIMCSA-N
XLogP2.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 127245674
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
4-[(4-fluorophenyl)methyl]-2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250272
6-[(2S)-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124983603
(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine
CID 52809539
4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956712
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
6-[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-3-amine
CID 110272026
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(5-fluoro-2-pyridinyl)methanone
CID 171950498
N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine
CID 127249117
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine?
The IUPAC name of 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine (CID 175587211) is 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine.
What is the SMILES notation for 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine?
The canonical SMILES for 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine is [2H]C1([2H])COC(c2ccc(F)cn2)CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine?
The InChIKey is PDLKLYSEMKDIPP-MGVXTIMCSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-6-7-15(18-10-14)16-12-19(8-9-20-16)11-13-4-2-1-3-5-13/h1-7,10,16H,8-9,11-12H2/i8D2.
What are the key properties of 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine?
4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine has a molecular weight of 274.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5,5-dideuterio-2-(5-fluoro-2-pyridinyl)morpholine is sourced from PubChem (CID 175587211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).