2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine

C16H23NO2 — CID 117408174

IUPAC2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
SMILESCCc1c(C2CCCCN2)ccc2c1OCCCO2
InChIInChI=1S/C16H23NO2/c1-2-12-13(14-6-3-4-9-17-14)7-8-15-16(12)19-11-5-10-18-15/h7-8,14,17H,2-6,9-11H2,1H3
InChIKeyFUWKXOKZLFNRLR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.22
Rot. Bonds2

About 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine

2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine (PubChem CID 117408174) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine.

Molecular Properties

Compound Name2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
PubChem CID117408174
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
SMILESCCc1c(C2CCCCN2)ccc2c1OCCCO2
InChIInChI=1S/C16H23NO2/c1-2-12-13(14-6-3-4-9-17-14)7-8-15-16(12)19-11-5-10-18-15/h7-8,14,17H,2-6,9-11H2,1H3
InChIKeyFUWKXOKZLFNRLR-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperidine
CID 117440973
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
CID 117381261
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117371289
2-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 117381903
2-(8-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117452481
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117346616
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117376371
2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117423106
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
CID 130786361
(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
CID 171195463
2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117463427

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
The IUPAC name of 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine (CID 117408174) is 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine.
What is the SMILES notation for 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
The canonical SMILES for 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine is CCc1c(C2CCCCN2)ccc2c1OCCCO2.
What is the InChIKey of 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
The InChIKey is FUWKXOKZLFNRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-12-13(14-6-3-4-9-17-14)7-8-15-16(12)19-11-5-10-18-15/h7-8,14,17H,2-6,9-11H2,1H3.
What are the key properties of 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine?
2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine has a molecular weight of 261.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine is sourced from PubChem (CID 117408174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).