3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one

C14H23FN4O — CID 139526034

IUPAC3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(N2CCC(F)(CN)CC2)c(=O)[nH]1
InChIInChI=1S/C14H23FN4O/c1-13(2,3)10-8-17-11(12(20)18-10)19-6-4-14(15,9-16)5-7-19/h8H,4-7,9,16H2,1-3H3,(H,18,20)
InChIKeyJRNDQQVIUPHJLF-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.33
Rot. Bonds2

About 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one

3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one (PubChem CID 139526034) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one
PubChem CID139526034
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(N2CCC(F)(CN)CC2)c(=O)[nH]1
InChIInChI=1S/C14H23FN4O/c1-13(2,3)10-8-17-11(12(20)18-10)19-6-4-14(15,9-16)5-7-19/h8H,4-7,9,16H2,1-3H3,(H,18,20)
InChIKeyJRNDQQVIUPHJLF-UHFFFAOYSA-N
XLogP1.33
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one?
The IUPAC name of 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one (CID 139526034) is 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one is CC(C)(C)c1cnc(N2CCC(F)(CN)CC2)c(=O)[nH]1.
What is the InChIKey of 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one?
The InChIKey is JRNDQQVIUPHJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-13(2,3)10-8-17-11(12(20)18-10)19-6-4-14(15,9-16)5-7-19/h8H,4-7,9,16H2,1-3H3,(H,18,20).
What are the key properties of 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one?
3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one has a molecular weight of 282.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-6-tert-butyl-1H-pyrazin-2-one is sourced from PubChem (CID 139526034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).