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

C15H20FNO2 — CID 117417353

IUPAC2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine
SMILESFc1ccc(CC2CCCCN2)c2c1OCCCO2
InChIInChI=1S/C15H20FNO2/c16-13-6-5-11(10-12-4-1-2-7-17-12)14-15(13)19-9-3-8-18-14/h5-6,12,17H,1-4,7-10H2
InChIKeyVMPVESBTZVVSSJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.67
Rot. Bonds2

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

2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine (PubChem CID 117417353) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine
PubChem CID117417353
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine
SMILESFc1ccc(CC2CCCCN2)c2c1OCCCO2
InChIInChI=1S/C15H20FNO2/c16-13-6-5-11(10-12-4-1-2-7-17-12)14-15(13)19-9-3-8-18-14/h5-6,12,17H,1-4,7-10H2
InChIKeyVMPVESBTZVVSSJ-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]methyl]pyrrolidine
CID 117485440
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)methyl]pyrrolidine
CID 117387504
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-bromo-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117480220
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]pyrrolidine
CID 117422989
8-fluoro-6-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117451478
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 117381311
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
8-fluoro-6-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117421556
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine?
The IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine (CID 117417353) is 2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine.
What is the SMILES notation for 2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine?
The canonical SMILES for 2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine is Fc1ccc(CC2CCCCN2)c2c1OCCCO2.
What is the InChIKey of 2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine?
The InChIKey is VMPVESBTZVVSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-6-5-11(10-12-4-1-2-7-17-12)14-15(13)19-9-3-8-18-14/h5-6,12,17H,1-4,7-10H2.
What are the key properties of 2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine?
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine has a molecular weight of 265.33 g/mol, XLogP of 2.67, 2 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)methyl]piperidine is sourced from PubChem (CID 117417353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).