2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine

C14H15F4NO2 — CID 117490561

IUPAC2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine
SMILESFC1(F)Oc2ccc(CC3CCCCN3)cc2OC1(F)F
InChIInChI=1S/C14H15F4NO2/c15-13(16)14(17,18)21-12-8-9(4-5-11(12)20-13)7-10-3-1-2-6-19-10/h4-5,8,10,19H,1-3,6-7H2
InChIKeyIBMOPXMGYLTFDS-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.33
Rot. Bonds2

About 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine

2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine (PubChem CID 117490561) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine
PubChem CID117490561
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine
SMILESFC1(F)Oc2ccc(CC3CCCCN3)cc2OC1(F)F
InChIInChI=1S/C14H15F4NO2/c15-13(16)14(17,18)21-12-8-9(4-5-11(12)20-13)7-10-3-1-2-6-19-10/h4-5,8,10,19H,1-3,6-7H2
InChIKeyIBMOPXMGYLTFDS-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 106632861
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 116994900
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2,2-dimethyl-6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82339550
2-[(3-fluoro-4-methylsulfonylphenyl)methyl]piperidine
CID 117431316
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82231447
2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine
CID 117331068

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine?
The IUPAC name of 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine (CID 117490561) is 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine.
What is the SMILES notation for 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine?
The canonical SMILES for 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine is FC1(F)Oc2ccc(CC3CCCCN3)cc2OC1(F)F.
What is the InChIKey of 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine?
The InChIKey is IBMOPXMGYLTFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c15-13(16)14(17,18)21-12-8-9(4-5-11(12)20-13)7-10-3-1-2-6-19-10/h4-5,8,10,19H,1-3,6-7H2.
What are the key properties of 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine?
2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine has a molecular weight of 305.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine is sourced from PubChem (CID 117490561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).