tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate

C18H25NO3 — CID 11748702

IUPACtert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C18H25NO3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)14-7-5-4-6-13(14)12-15(18)20/h4-7,15,20H,8-12H2,1-3H3/t15-/m0/s1
InChIKeyKLCJQNWXKSIYTO-HNNXBMFYSA-N
MW303.40 g/mol
LogP2.87
Rot. Bonds

About tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate

tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate (PubChem CID 11748702) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
PubChem CID11748702
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C18H25NO3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)14-7-5-4-6-13(14)12-15(18)20/h4-7,15,20H,8-12H2,1-3H3/t15-/m0/s1
InChIKeyKLCJQNWXKSIYTO-HNNXBMFYSA-N
XLogP2.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate (CID 11748702) is tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O.
What is the InChIKey of tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
The InChIKey is KLCJQNWXKSIYTO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)14-7-5-4-6-13(14)12-15(18)20/h4-7,15,20H,8-12H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 11748702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).