tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate

C26H27NO3 — CID 20721538

IUPACtert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1-c1c2cc(O)c2ccccc12
InChIInChI=1S/C26H27NO3/c1-25(2,3)30-24(29)27-14-12-26(13-15-27)20-11-7-6-10-19(20)23-18-9-5-4-8-17(18)22(28)16-21(23)26/h4-11,16,28H,12-15H2,1-3H3
InChIKeyPYUDCGKJLNKGGQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.84
Rot. Bonds

About tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate

tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate (PubChem CID 20721538) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate
PubChem CID20721538
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Nametert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1-c1c2cc(O)c2ccccc12
InChIInChI=1S/C26H27NO3/c1-25(2,3)30-24(29)27-14-12-26(13-15-27)20-11-7-6-10-19(20)23-18-9-5-4-8-17(18)22(28)16-21(23)26/h4-11,16,28H,12-15H2,1-3H3
InChIKeyPYUDCGKJLNKGGQ-UHFFFAOYSA-N
XLogP5.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate
CID 70343549
tert-butyl (2E)-2-hydroxyiminospiro[1H-indene-3,4'-piperidine]-1'-carboxylate
CID 146482536
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 70344591
tert-butyl 4-(1-benzothiophen-3-yl)-4-hydroxypiperidine-1-carboxylate
CID 71512889
tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
1-O'-tert-butyl 1-O-methyl spiro[3H-naphthalene-4,4'-piperidine]-1,1'-dicarboxylate
CID 59600625
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 3-(pentan-3-ylcarbamoyl)spiro[indene-1,4'-piperidine]-1'-carboxylate
CID 59600632

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate (CID 20721538) is tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1-c1c2cc(O)c2ccccc12.
What is the InChIKey of tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate?
The InChIKey is PYUDCGKJLNKGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-25(2,3)30-24(29)27-14-12-26(13-15-27)20-11-7-6-10-19(20)23-18-9-5-4-8-17(18)22(28)16-21(23)26/h4-11,16,28H,12-15H2,1-3H3.
What are the key properties of tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate?
tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate has a molecular weight of 401.51 g/mol, XLogP of 5.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 20721538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).