tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate

C20H31FN4O2 — CID 24960706

IUPACtert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1cnc(F)c(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1
InChIInChI=1S/C20H31FN4O2/c1-14-13-22-17(21)18(23-14)24-9-5-15(6-10-24)16-7-11-25(12-8-16)19(26)27-20(2,3)4/h13,15-16H,5-12H2,1-4H3
InChIKeyVCXAMIAZNJSSII-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.79
Rot. Bonds2

About tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 24960706) has the molecular formula C20H31FN4O2 and a molecular weight of 378.49 g/mol. Its IUPAC name is tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
PubChem CID24960706
Molecular FormulaC20H31FN4O2
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC Nametert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1cnc(F)c(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1
InChIInChI=1S/C20H31FN4O2/c1-14-13-22-17(21)18(23-14)24-9-5-15(6-10-24)16-7-11-25(12-8-16)19(26)27-20(2,3)4/h13,15-16H,5-12H2,1-4H3
InChIKeyVCXAMIAZNJSSII-UHFFFAOYSA-N
XLogP3.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate (CID 24960706) is tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate is Cc1cnc(F)c(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1.
What is the InChIKey of tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is VCXAMIAZNJSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O2/c1-14-13-22-17(21)18(23-14)24-9-5-15(6-10-24)16-7-11-25(12-8-16)19(26)27-20(2,3)4/h13,15-16H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 378.49 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 24960706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).