2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine

C15H21NO2 — CID 117371289

IUPAC2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
SMILESCCc1cc2c(cc1C1CCCCN1)OCCO2
InChIInChI=1S/C15H21NO2/c1-2-11-9-14-15(18-8-7-17-14)10-12(11)13-5-3-4-6-16-13/h9-10,13,16H,2-8H2,1H3
InChIKeyLTSPVNDDFVLOEM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.83
Rot. Bonds2

About 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine

2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine (PubChem CID 117371289) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine.

Molecular Properties

Compound Name2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
PubChem CID117371289
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
SMILESCCc1cc2c(cc1C1CCCCN1)OCCO2
InChIInChI=1S/C15H21NO2/c1-2-11-9-14-15(18-8-7-17-14)10-12(11)13-5-3-4-6-16-13/h9-10,13,16H,2-8H2,1H3
InChIKeyLTSPVNDDFVLOEM-UHFFFAOYSA-N
XLogP2.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117423106
2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117408174
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
5-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-3-carboxylic acid
CID 117470586
5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385564
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117376371
2-(5-chloro-2-ethylphenyl)pyrrolidine
CID 84677413
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
CID 117436351
2-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]pyrrolidine
CID 117417340
2-(7-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)piperidine
CID 117476724

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
The IUPAC name of 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine (CID 117371289) is 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine.
What is the SMILES notation for 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
The canonical SMILES for 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine is CCc1cc2c(cc1C1CCCCN1)OCCO2.
What is the InChIKey of 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
The InChIKey is LTSPVNDDFVLOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-11-9-14-15(18-8-7-17-14)10-12(11)13-5-3-4-6-16-13/h9-10,13,16H,2-8H2,1H3.
What are the key properties of 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine is sourced from PubChem (CID 117371289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).