tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate

C14H20ClFN4O2 — CID 138605040

IUPACtert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Nc2cncc(Cl)n2)[C@@H](F)C1
InChIInChI=1S/C14H20ClFN4O2/c1-14(2,3)22-13(21)20-5-4-10(9(16)8-20)18-12-7-17-6-11(15)19-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)/t9-,10-/m0/s1
InChIKeyUZFGEZKOYQPLMA-UWVGGRQHSA-N
MW330.79 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate

tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate (PubChem CID 138605040) has the molecular formula C14H20ClFN4O2 and a molecular weight of 330.79 g/mol. Its IUPAC name is tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate
PubChem CID138605040
Molecular FormulaC14H20ClFN4O2
Molecular Weight330.79 g/mol
Exact Mass330.13
IUPAC Nametert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Nc2cncc(Cl)n2)[C@@H](F)C1
InChIInChI=1S/C14H20ClFN4O2/c1-14(2,3)22-13(21)20-5-4-10(9(16)8-20)18-12-7-17-6-11(15)19-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)/t9-,10-/m0/s1
InChIKeyUZFGEZKOYQPLMA-UWVGGRQHSA-N
XLogP2.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-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)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate (CID 138605040) is tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](Nc2cncc(Cl)n2)[C@@H](F)C1.
What is the InChIKey of tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate?
The InChIKey is UZFGEZKOYQPLMA-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H20ClFN4O2/c1-14(2,3)22-13(21)20-5-4-10(9(16)8-20)18-12-7-17-6-11(15)19-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)/t9-,10-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate?
tert-butyl (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate has a molecular weight of 330.79 g/mol, XLogP of 2.89, 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)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 138605040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).