2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine

C15H21F2N3O — CID 171700824

IUPAC2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(CC3CC(F)(F)C3)CC2)n1
InChIInChI=1S/C15H21F2N3O/c1-11-8-18-9-14(19-11)21-13-2-4-20(5-3-13)10-12-6-15(16,17)7-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyHHVCKUUCCFRVRQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.67
Rot. Bonds4

About 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine

2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine (PubChem CID 171700824) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine
PubChem CID171700824
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(CC3CC(F)(F)C3)CC2)n1
InChIInChI=1S/C15H21F2N3O/c1-11-8-18-9-14(19-11)21-13-2-4-20(5-3-13)10-12-6-15(16,17)7-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyHHVCKUUCCFRVRQ-UHFFFAOYSA-N
XLogP2.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine?
The IUPAC name of 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine (CID 171700824) is 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine.
What is the SMILES notation for 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine?
The canonical SMILES for 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine is Cc1cncc(OC2CCN(CC3CC(F)(F)C3)CC2)n1.
What is the InChIKey of 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine?
The InChIKey is HHVCKUUCCFRVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-11-8-18-9-14(19-11)21-13-2-4-20(5-3-13)10-12-6-15(16,17)7-12/h8-9,12-13H,2-7,10H2,1H3.
What are the key properties of 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine?
2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine has a molecular weight of 297.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine is sourced from PubChem (CID 171700824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).