7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]

C12H14BrNO2 — CID 10850583

IUPAC7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESBrc1ccc2c(c1)OC1(CCNCC1)OC2
InChIInChI=1S/C12H14BrNO2/c13-10-2-1-9-8-15-12(16-11(9)7-10)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyYRRNFCXUHNWQHE-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.44
Rot. Bonds

About 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]

7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 10850583) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID10850583
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESBrc1ccc2c(c1)OC1(CCNCC1)OC2
InChIInChI=1S/C12H14BrNO2/c13-10-2-1-9-8-15-12(16-11(9)7-10)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyYRRNFCXUHNWQHE-UHFFFAOYSA-N
XLogP2.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 10850583) is 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine] is Brc1ccc2c(c1)OC1(CCNCC1)OC2.
What is the InChIKey of 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is YRRNFCXUHNWQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-10-2-1-9-8-15-12(16-11(9)7-10)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2.
What are the key properties of 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 284.15 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 10850583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).