tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

C18H24BrNO5 — CID 135125229

IUPACtert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
SMILESCOc1cc(Br)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)OC2
InChIInChI=1S/C18H24BrNO5/c1-17(2,3)25-16(21)20-7-5-18(6-8-20)23-11-12-9-13(19)10-14(22-4)15(12)24-18/h9-10H,5-8,11H2,1-4H3
InChIKeySFOXYOIPLMDZNY-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.09
Rot. Bonds1

About tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate (PubChem CID 135125229) has the molecular formula C18H24BrNO5 and a molecular weight of 414.30 g/mol. Its IUPAC name is tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
PubChem CID135125229
Molecular FormulaC18H24BrNO5
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC Nametert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
SMILESCOc1cc(Br)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)OC2
InChIInChI=1S/C18H24BrNO5/c1-17(2,3)25-16(21)20-7-5-18(6-8-20)23-11-12-9-13(19)10-14(22-4)15(12)24-18/h9-10H,5-8,11H2,1-4H3
InChIKeySFOXYOIPLMDZNY-UHFFFAOYSA-N
XLogP4.09
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(4-bromo-2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 164719703
tert-butyl 2-(3-bromo-5-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
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tert-butyl 4-(4-bromo-3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 31517536
tert-butyl 6-[3-(2-anilino-2-oxoethoxy)phenyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 58711769
tert-butyl 2-bromospiro[6,7-dihydrothieno[3,2-b]pyran-5,4'-piperidine]-1'-carboxylate
CID 178129440
tert-butyl 9-(4-amino-5-methoxy-2-methylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 167272919
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 2-(5-tert-butyl-2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 156864591
tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
CID 69000949
tert-butyl 3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91350918
tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
CID 68503586
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate (CID 135125229) is tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate is COc1cc(Br)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)OC2.
What is the InChIKey of tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
The InChIKey is SFOXYOIPLMDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO5/c1-17(2,3)25-16(21)20-7-5-18(6-8-20)23-11-12-9-13(19)10-14(22-4)15(12)24-18/h9-10H,5-8,11H2,1-4H3.
What are the key properties of tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate has a molecular weight of 414.30 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 135125229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).