tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate

C24H36N2O3 — CID 10001074

IUPACtert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](N2CCC3(CCCc4ccccc43)CC2)C1
InChIInChI=1S/C24H36N2O3/c1-23(2,3)29-22(28)26-14-10-21(27)20(17-26)25-15-12-24(13-16-25)11-6-8-18-7-4-5-9-19(18)24/h4-5,7,9,20-21,27H,6,8,10-17H2,1-3H3/t20-,21-/m1/s1
InChIKeyJEINAYNULPXDID-NHCUHLMSSA-N
MW400.56 g/mol
LogP3.73
Rot. Bonds1

About tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate

tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate (PubChem CID 10001074) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate
PubChem CID10001074
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Nametert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](N2CCC3(CCCc4ccccc43)CC2)C1
InChIInChI=1S/C24H36N2O3/c1-23(2,3)29-22(28)26-14-10-21(27)20(17-26)25-15-12-24(13-16-25)11-6-8-18-7-4-5-9-19(18)24/h4-5,7,9,20-21,27H,6,8,10-17H2,1-3H3/t20-,21-/m1/s1
InChIKeyJEINAYNULPXDID-NHCUHLMSSA-N
XLogP3.73
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide
CID 143786118
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl (4R,5R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyazepane-1-carboxylate
CID 168859638
tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 122463512
tert-butyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 67537517
tert-butyl (3R,4R)-3-(1,3-dihydroisoindol-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 126846450
tert-butyl 3-(3-chloro-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-4-hydroxypiperidine-1-carboxylate
CID 171817350
1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 59433508
tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 138657322
tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433503
tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
CID 20870871
tert-butyl (4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepane-1-carboxylate
CID 166011978

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate (CID 10001074) is tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](N2CCC3(CCCc4ccccc43)CC2)C1.
What is the InChIKey of tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate?
The InChIKey is JEINAYNULPXDID-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-23(2,3)29-22(28)26-14-10-21(27)20(17-26)25-15-12-24(13-16-25)11-6-8-18-7-4-5-9-19(18)24/h4-5,7,9,20-21,27H,6,8,10-17H2,1-3H3/t20-,21-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate?
tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate has a molecular weight of 400.56 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate is sourced from PubChem (CID 10001074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).