tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate

C18H27NO3 — CID 23367873

IUPACtert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)C1=C2C=CCC1
InChIInChI=1S/C18H27NO3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)12-15(20)13-6-4-5-7-14(13)18/h5,7,15,20H,4,6,8-12H2,1-3H3
InChIKeyQTGXQPLJHVCRTG-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.41
Rot. Bonds

About tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate

tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate (PubChem CID 23367873) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate
PubChem CID23367873
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)C1=C2C=CCC1
InChIInChI=1S/C18H27NO3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)12-15(20)13-6-4-5-7-14(13)18/h5,7,15,20H,4,6,8-12H2,1-3H3
InChIKeyQTGXQPLJHVCRTG-UHFFFAOYSA-N
XLogP3.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate (CID 23367873) is tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)C1=C2C=CCC1.
What is the InChIKey of tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate?
The InChIKey is QTGXQPLJHVCRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)12-15(20)13-6-4-5-7-14(13)18/h5,7,15,20H,4,6,8-12H2,1-3H3.
What are the key properties of tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate?
tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-hydroxyspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 23367873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).