tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate

C22H31FN2O2 — CID 122463541

About tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 122463541) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate
• PubChem CID: 122463541
• Molecular Formula: C22H31FN2O2
• Molecular Weight: 374.50 g/mol
• Exact Mass: 374.24
• IUPAC Name: tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(CNC2CC23CCc2ccc(F)cc23)CC1
• InChI: InChI=1S/C22H31FN2O2/c1-21(2,3)27-20(26)25-10-7-15(8-11-25)14-24-19-13-22(19)9-6-16-4-5-17(23)12-18(16)22/h4-5,12,15,19,24H,6-11,13-14H2,1-3H3
• InChIKey: GEBPEXULHNPSJR-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.50
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate (CID 122463541) is tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNC2CC23CCc2ccc(F)cc23)CC1.

What is the InChIKey of tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate?

The InChIKey is GEBPEXULHNPSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c1-21(2,3)27-20(26)25-10-7-15(8-11-25)14-24-19-13-22(19)9-6-16-4-5-17(23)12-18(16)22/h4-5,12,15,19,24H,6-11,13-14H2,1-3H3.

What are the key properties of tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate?

tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 374.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 122463541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).