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

C15H23FN4O2 — CID 142575434

IUPACtert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCc1cncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)n1
InChIInChI=1S/C15H23FN4O2/c1-10-7-17-8-13(18-10)19-12-5-6-20(9-11(12)16)14(21)22-15(2,3)4/h7-8,11-12H,5-6,9H2,1-4H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyBLRUXQTZHSQVND-RYUDHWBXSA-N
MW310.37 g/mol
LogP2.54
Rot. Bonds2

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

tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 142575434) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID142575434
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Nametert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCc1cncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)n1
InChIInChI=1S/C15H23FN4O2/c1-10-7-17-8-13(18-10)19-12-5-6-20(9-11(12)16)14(21)22-15(2,3)4/h7-8,11-12H,5-6,9H2,1-4H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyBLRUXQTZHSQVND-RYUDHWBXSA-N
XLogP2.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate (CID 142575434) is tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate is Cc1cncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)n1.
What is the InChIKey of tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is BLRUXQTZHSQVND-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-10-7-17-8-13(18-10)19-12-5-6-20(9-11(12)16)14(21)22-15(2,3)4/h7-8,11-12H,5-6,9H2,1-4H3,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate?
tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-fluoro-4-[(6-methylpyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 142575434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).