3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine

C15H21NO2 — CID 117371269

IUPAC3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
SMILESCc1cc2c(cc1C1CCCNC1)OCCCO2
InChIInChI=1S/C15H21NO2/c1-11-8-14-15(18-7-3-6-17-14)9-13(11)12-4-2-5-16-10-12/h8-9,12,16H,2-7,10H2,1H3
InChIKeyDEEJUSLLXIIYIW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.62
Rot. Bonds1

About 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine

3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine (PubChem CID 117371269) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine.

Molecular Properties

Compound Name3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
PubChem CID117371269
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
SMILESCc1cc2c(cc1C1CCCNC1)OCCCO2
InChIInChI=1S/C15H21NO2/c1-11-8-14-15(18-7-3-6-17-14)9-13(11)12-4-2-5-16-10-12/h8-9,12,16H,2-7,10H2,1H3
InChIKeyDEEJUSLLXIIYIW-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
CID 117436349
3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine
CID 117371265
3-[7-(2-fluoropropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]piperidine
CID 117473562
3-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]piperidine
CID 117478896
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263
3-(2,4-dimethylphenyl)piperidine
CID 10535662
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
3-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]piperidine
CID 117426259
4,5-dimethyl-2-piperidin-3-ylaniline
CID 166143865
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 84696872

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
The IUPAC name of 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine (CID 117371269) is 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine.
What is the SMILES notation for 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
The canonical SMILES for 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine is Cc1cc2c(cc1C1CCCNC1)OCCCO2.
What is the InChIKey of 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
The InChIKey is DEEJUSLLXIIYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-8-14-15(18-7-3-6-17-14)9-13(11)12-4-2-5-16-10-12/h8-9,12,16H,2-7,10H2,1H3.
What are the key properties of 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine is sourced from PubChem (CID 117371269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).