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

C12H15NO2 — CID 10845905

IUPACspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESc1ccc2c(c1)COC1(CCNCC1)O2
InChIInChI=1S/C12H15NO2/c1-2-4-11-10(3-1)9-14-12(15-11)5-7-13-8-6-12/h1-4,13H,5-9H2
InChIKeyFRNANTVJJKQZID-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds

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

spiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 10845905) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is spiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Namespiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID10845905
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namespiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESc1ccc2c(c1)COC1(CCNCC1)O2
InChIInChI=1S/C12H15NO2/c1-2-4-11-10(3-1)9-14-12(15-11)5-7-13-8-6-12/h1-4,13H,5-9H2
InChIKeyFRNANTVJJKQZID-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10850583
6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 115062790
6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide
CID 143841802
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
spiro[3,4-dihydrochromene-2,2'-oxane]
CID 25016653
(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]
CID 129406410
7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]
CID 115062771
(3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone
CID 126474186
spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]
CID 10560784
1'-[2-(3,4-dimethoxyphenyl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 126474369
spiro[2,4-dihydrochromene-3,4'-piperidine]
CID 15187048

Frequently Asked Questions

What is the IUPAC name of spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of spiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 10845905) is spiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for spiro[4H-1,3-benzodioxine-2,4'-piperidine] is c1ccc2c(c1)COC1(CCNCC1)O2.
What is the InChIKey of spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is FRNANTVJJKQZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-4-11-10(3-1)9-14-12(15-11)5-7-13-8-6-12/h1-4,13H,5-9H2.
What are the key properties of spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
spiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 205.26 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 10845905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).