2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine

C17H23NO2 — CID 117436350

IUPAC2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine
SMILESc1cc2c(cc1C1CCCCN1)OC1(CCCCC1)O2
InChIInChI=1S/C17H23NO2/c1-3-9-17(10-4-1)19-15-8-7-13(12-16(15)20-17)14-6-2-5-11-18-14/h7-8,12,14,18H,1-6,9-11H2
InChIKeyZOZCVUSQDFMNGR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.93
Rot. Bonds1

About 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine

2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine (PubChem CID 117436350) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine.

Molecular Properties

Compound Name2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine
PubChem CID117436350
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine
SMILESc1cc2c(cc1C1CCCCN1)OC1(CCCCC1)O2
InChIInChI=1S/C17H23NO2/c1-3-9-17(10-4-1)19-15-8-7-13(12-16(15)20-17)14-6-2-5-11-18-14/h7-8,12,14,18H,1-6,9-11H2
InChIKeyZOZCVUSQDFMNGR-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 66519154
(2R)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 171196163
2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 169449503
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine
CID 117365379
4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine
CID 117365382
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
2-(2,2-dimethyl-1,3-benzoxathiol-6-yl)piperidine
CID 117377648
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine
CID 117407511
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-(4-bromophenyl)piperidine
CID 7022866

Frequently Asked Questions

What is the IUPAC name of 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine?
The IUPAC name of 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine (CID 117436350) is 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine.
What is the SMILES notation for 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine?
The canonical SMILES for 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine is c1cc2c(cc1C1CCCCN1)OC1(CCCCC1)O2.
What is the InChIKey of 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine?
The InChIKey is ZOZCVUSQDFMNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-9-17(10-4-1)19-15-8-7-13(12-16(15)20-17)14-6-2-5-11-18-14/h7-8,12,14,18H,1-6,9-11H2.
What are the key properties of 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine?
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine has a molecular weight of 273.38 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine is sourced from PubChem (CID 117436350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).