Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate

C₁₆H₂₂ClFN₂O₂ — CID 165457824

About Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate

Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 165457824) has the molecular formula C₁₆H₂₂ClFN₂O₂ and a molecular weight of 328.82 g/mol. Its IUPAC name is tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate
• PubChem CID: 165457824
• Molecular Formula: C₁₆H₂₂ClFN₂O₂
• Molecular Weight: 328.82 g/mol
• Exact Mass: 328.14
• IUPAC Name: tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(N)CC1c1ccc(F)cc1Cl
• InChI: InChI=1S/C16H22ClFN2O2/c1-16(2,3)22-15(21)20-7-6-11(19)9-14(20)12-5-4-10(18)8-13(12)17/h4-5,8,11,14H,6-7,9,19H2,1-3H3
• InChIKey: PRQDPCJCAZGPST-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 55.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.82
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate?

The IUPAC name of Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate (CID 165457824) is tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate.

What is the SMILES notation for Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate?

The canonical SMILES for Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)CC1c1ccc(F)cc1Cl.

What is the InChIKey of Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate?

The InChIKey is PRQDPCJCAZGPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-16(2,3)22-15(21)20-7-6-11(19)9-14(20)12-5-4-10(18)8-13(12)17/h4-5,8,11,14H,6-7,9,19H2,1-3H3.

What are the key properties of Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate?

Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 328.82 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 165457824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165457824 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.