2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine

C22H21F2N3O — CID 143313789

IUPAC2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine
SMILESCN1CCCC(Oc2cnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H21F2N3O/c1-27-12-2-3-19(14-27)28-20-13-25-21(15-4-8-17(23)9-5-15)22(26-20)16-6-10-18(24)11-7-16/h4-11,13,19H,2-3,12,14H2,1H3
InChIKeyVXUOBELUQSEFHM-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.56
Rot. Bonds4

About 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine

2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine (PubChem CID 143313789) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine
PubChem CID143313789
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine
SMILESCN1CCCC(Oc2cnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H21F2N3O/c1-27-12-2-3-19(14-27)28-20-13-25-21(15-4-8-17(23)9-5-15)22(26-20)16-6-10-18(24)11-7-16/h4-11,13,19H,2-3,12,14H2,1H3
InChIKeyVXUOBELUQSEFHM-UHFFFAOYSA-N
XLogP4.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol
CID 170381589
2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
CID 95818599
[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
CID 844358
[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate
CID 769252
(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine
CID 176675609
3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride
CID 19038091
3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine
CID 143313116
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
2-chloro-4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 121284010
2-[(3S)-3-(4-fluorophenoxy)piperidin-1-yl]-5-methyl-4-(1-methylpyrazol-4-yl)pyrimidine
CID 29029318
3-[6-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]benzaldehyde
CID 121283967
7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
CID 174266465

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine?
The IUPAC name of 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine (CID 143313789) is 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine is CN1CCCC(Oc2cnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine?
The InChIKey is VXUOBELUQSEFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c1-27-12-2-3-19(14-27)28-20-13-25-21(15-4-8-17(23)9-5-15)22(26-20)16-6-10-18(24)11-7-16/h4-11,13,19H,2-3,12,14H2,1H3.
What are the key properties of 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine?
2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine has a molecular weight of 381.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine is sourced from PubChem (CID 143313789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).