2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine

C14H18FNO2 — CID 117381261

IUPAC2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
SMILESFc1ccc(C2CCCCN2)c2c1OCCCO2
InChIInChI=1S/C14H18FNO2/c15-11-6-5-10(12-4-1-2-7-16-12)13-14(11)18-9-3-8-17-13/h5-6,12,16H,1-4,7-9H2
InChIKeyHQHSXKLOPLIZLI-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.80
Rot. Bonds1

About 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine

2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine (PubChem CID 117381261) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
PubChem CID117381261
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
SMILESFc1ccc(C2CCCCN2)c2c1OCCCO2
InChIInChI=1S/C14H18FNO2/c15-11-6-5-10(12-4-1-2-7-16-12)13-14(11)18-9-3-8-17-13/h5-6,12,16H,1-4,7-9H2
InChIKeyHQHSXKLOPLIZLI-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine
CID 117319500
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519325
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine
CID 117417353
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117346616
2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117408174
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564
2-(2-bromo-3,4-difluorophenyl)piperidine
CID 84714328
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130639912
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
CID 171195463

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine (CID 117381261) is 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine is Fc1ccc(C2CCCCN2)c2c1OCCCO2.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine?
The InChIKey is HQHSXKLOPLIZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-11-6-5-10(12-4-1-2-7-16-12)13-14(11)18-9-3-8-17-13/h5-6,12,16H,1-4,7-9H2.
What are the key properties of 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine?
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine has a molecular weight of 251.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine is sourced from PubChem (CID 117381261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).