3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine

C18H21F2N3O — CID 163351286

IUPAC3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(Cc3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C18H21F2N3O/c1-12-10-21-13(2)18(22-12)24-16-5-7-23(8-6-16)11-14-9-15(19)3-4-17(14)20/h3-4,9-10,16H,5-8,11H2,1-2H3
InChIKeyULEUFHYJCNRRNG-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.42
Rot. Bonds4

About 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine

3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine (PubChem CID 163351286) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
PubChem CID163351286
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(Cc3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C18H21F2N3O/c1-12-10-21-13(2)18(22-12)24-16-5-7-23(8-6-16)11-14-9-15(19)3-4-17(14)20/h3-4,9-10,16H,5-8,11H2,1-2H3
InChIKeyULEUFHYJCNRRNG-UHFFFAOYSA-N
XLogP3.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The IUPAC name of 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine (CID 163351286) is 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The canonical SMILES for 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine is Cc1cnc(C)c(OC2CCN(Cc3cc(F)ccc3F)CC2)n1.
What is the InChIKey of 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The InChIKey is ULEUFHYJCNRRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-12-10-21-13(2)18(22-12)24-16-5-7-23(8-6-16)11-14-9-15(19)3-4-17(14)20/h3-4,9-10,16H,5-8,11H2,1-2H3.
What are the key properties of 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine has a molecular weight of 333.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine is sourced from PubChem (CID 163351286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).