1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine

C13H15F2NO2 — CID 117007729

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine
SMILESFC1(F)CCCN(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C13H15F2NO2/c14-13(15)4-1-5-16(9-13)10-2-3-11-12(8-10)18-7-6-17-11/h2-3,8H,1,4-7,9H2
InChIKeyAIMOHDSRTFPZAI-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.69
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine (PubChem CID 117007729) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine
PubChem CID117007729
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine
SMILESFC1(F)CCCN(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C13H15F2NO2/c14-13(15)4-1-5-16(9-13)10-2-3-11-12(8-10)18-7-6-17-11/h2-3,8H,1,4-7,9H2
InChIKeyAIMOHDSRTFPZAI-UHFFFAOYSA-N
XLogP2.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013245
N-[2-(3,3-difluoropiperidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 140881089
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79922701
1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 175743127
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid
CID 117008801
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 117009780
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylpiperazine
CID 110363942
2,3-dihydro-1,4-benzodioxin-6-yl-(3-pyrrolidin-1-ylphenyl)methanone
CID 168515445
4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one
CID 117005141

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine (CID 117007729) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine is FC1(F)CCCN(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine?
The InChIKey is AIMOHDSRTFPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-13(15)4-1-5-16(9-13)10-2-3-11-12(8-10)18-7-6-17-11/h2-3,8H,1,4-7,9H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine has a molecular weight of 255.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine is sourced from PubChem (CID 117007729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).