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

C18H25NO3 — CID 18673576

IUPACtert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)c1ccccc12
InChIInChI=1S/C18H25NO3/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/h4-7,15,20H,8-12H2,1-3H3
InChIKeyJQDUYDRMSSWISY-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.39
Rot. Bonds

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

tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate (PubChem CID 18673576) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
PubChem CID18673576
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)c1ccccc12
InChIInChI=1S/C18H25NO3/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/h4-7,15,20H,8-12H2,1-3H3
InChIKeyJQDUYDRMSSWISY-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448
tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen
CID 161257247
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 2-oxo-1-(1-phenylethenyl)spiro[3,3a,4,9b-tetrahydrobenzo[g]indole-5,4'-piperidine]-1'-carboxylate
CID 67304357
tert-butyl (1R)-1-amino-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530623
tert-butyl (1R)-1-amino-7-chlorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530626
1-O'-tert-butyl 2-O-methyl (2S)-spiro[2,3-dihydrochromene-4,4'-piperidine]-1',2-dicarboxylate
CID 125247753
1-O'-tert-butyl 2-O-methyl spiro[2,3-dihydrochromene-4,4'-piperidine]-1',2-dicarboxylate
CID 131638046
tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 131664474
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198
tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433503
1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate
CID 170899546

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate (CID 18673576) is tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)c1ccccc12.
What is the InChIKey of tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
The InChIKey is JQDUYDRMSSWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/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/h4-7,15,20H,8-12H2,1-3H3.
What are the key properties of tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.39, 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-dihydroindene-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 18673576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).