tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate

C18H22BrNO2 — CID 10451390

IUPACtert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Cc3cc(Br)ccc32)CC1
InChIInChI=1S/C18H22BrNO2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)7-6-13-12-14(19)4-5-15(13)18/h4-7,12H,8-11H2,1-3H3
InChIKeyNOBHFAKDJUWMKO-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.74
Rot. Bonds

About tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate

tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate (PubChem CID 10451390) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate
PubChem CID10451390
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC Nametert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Cc3cc(Br)ccc32)CC1
InChIInChI=1S/C18H22BrNO2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)7-6-13-12-14(19)4-5-15(13)18/h4-7,12H,8-11H2,1-3H3
InChIKeyNOBHFAKDJUWMKO-UHFFFAOYSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 10087410
tert-butyl 4-(4-bromo-2-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 18379530
tert-butyl 7-bromo-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate
CID 22626861
tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate
CID 10358229
acetaldehyde;tert-butyl 5-bromo-1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;ethane
CID 143192754
tert-butyl 4-[(4-bromo-2-carbamoylphenyl)carbamoyl]-4-fluoropiperidine-1-carboxylate
CID 151994953
tert-butyl 4-[4-(2,5-dimethylpyrrol-1-yl)-2-methylphenyl]-4-hydroxypiperidine-1-carboxylate
CID 67170370
tert-butyl 4-(3-bromophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 58993478
tert-butyl 4-[1-(4-bromophenyl)cyclopropyl]piperazine-1-carboxylate
CID 155194530
tert-butyl 7-bromo-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 53397001
tert-butyl 4-(6-bromo-2H-chromen-3-yl)piperidine-1-carboxylate
CID 118863986
tert-butyl 9-[2-(4-bromophenyl)acetyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 139534423

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate (CID 10451390) is tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=Cc3cc(Br)ccc32)CC1.
What is the InChIKey of tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate?
The InChIKey is NOBHFAKDJUWMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)7-6-13-12-14(19)4-5-15(13)18/h4-7,12H,8-11H2,1-3H3.
What are the key properties of tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate?
tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate has a molecular weight of 364.28 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 10451390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).