(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol

C13H16BrNO3 — CID 53320284

IUPAC(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol
SMILESOCN1CCC2(CC1)OCc1cc(Br)ccc1O2
InChIInChI=1S/C13H16BrNO3/c14-11-1-2-12-10(7-11)8-17-13(18-12)3-5-15(9-16)6-4-13/h1-2,7,16H,3-6,8-9H2
InChIKeyVLYIBJZWDPQNBB-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.10
Rot. Bonds1

About (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol

(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol (PubChem CID 53320284) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol.

Molecular Properties

Compound Name(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol
PubChem CID53320284
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol
SMILESOCN1CCC2(CC1)OCc1cc(Br)ccc1O2
InChIInChI=1S/C13H16BrNO3/c14-11-1-2-12-10(7-11)8-17-13(18-12)3-5-15(9-16)6-4-13/h1-2,7,16H,3-6,8-9H2
InChIKeyVLYIBJZWDPQNBB-UHFFFAOYSA-N
XLogP2.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol?
The IUPAC name of (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol (CID 53320284) is (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol.
What is the SMILES notation for (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol?
The canonical SMILES for (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol is OCN1CCC2(CC1)OCc1cc(Br)ccc1O2.
What is the InChIKey of (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol?
The InChIKey is VLYIBJZWDPQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-11-1-2-12-10(7-11)8-17-13(18-12)3-5-15(9-16)6-4-13/h1-2,7,16H,3-6,8-9H2.
What are the key properties of (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol?
(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol has a molecular weight of 314.18 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol is sourced from PubChem (CID 53320284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).