6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]

C15H20BrNO — CID 82045852

IUPAC6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCc1c(Br)cc2c(c1C)OC1(CCNCC1)CC2
InChIInChI=1S/C15H20BrNO/c1-10-11(2)14-12(9-13(10)16)3-4-15(18-14)5-7-17-8-6-15/h9,17H,3-8H2,1-2H3
InChIKeyBCOWQLRQOSZTFO-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.51
Rot. Bonds

About 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]

6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 82045852) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID82045852
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCc1c(Br)cc2c(c1C)OC1(CCNCC1)CC2
InChIInChI=1S/C15H20BrNO/c1-10-11(2)14-12(9-13(10)16)3-4-15(18-14)5-7-17-8-6-15/h9,17H,3-8H2,1-2H3
InChIKeyBCOWQLRQOSZTFO-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046026
8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046027
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
8-bromo-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 23238946
8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 171787900
5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
CID 83671316
spiro[3,4-dihydrochromene-2,4'-piperidine]-5-ol
CID 68756390
5-iodospiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318076
6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82045864
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 82045852) is 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine] is Cc1c(Br)cc2c(c1C)OC1(CCNCC1)CC2.
What is the InChIKey of 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is BCOWQLRQOSZTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-11(2)14-12(9-13(10)16)3-4-15(18-14)5-7-17-8-6-15/h9,17H,3-8H2,1-2H3.
What are the key properties of 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]?
6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 310.24 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 82045852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).