4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine

C14H17F2NO2 — CID 116840363

IUPAC4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine
SMILESFC(F)(CC1CCNCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H17F2NO2/c15-14(16,8-10-3-5-17-6-4-10)11-1-2-12-13(7-11)19-9-18-12/h1-2,7,10,17H,3-6,8-9H2
InChIKeyCINUEYSAXCPBLV-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.90
Rot. Bonds3

About 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine

4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine (PubChem CID 116840363) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine
PubChem CID116840363
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine
SMILESFC(F)(CC1CCNCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H17F2NO2/c15-14(16,8-10-3-5-17-6-4-10)11-1-2-12-13(7-11)19-9-18-12/h1-2,7,10,17H,3-6,8-9H2
InChIKeyCINUEYSAXCPBLV-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]pyrrolidine
CID 116840192
4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine
CID 116840354
4-(1,3-benzodioxol-5-ylmethyl)piperidine
CID 17039498
5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole
CID 116841652
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
CID 116840188
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine
CID 83108835
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 119760054
5-(1,1-difluoro-2,2-dimethylpropyl)-1,3-benzodioxole
CID 154618355
3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116840190
5-(1,1-difluoro-2-pyrrolidin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116840235
4-(1,3-benzodioxol-5-ylsulfonyl)piperidine
CID 82305550

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine?
The IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine (CID 116840363) is 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine?
The canonical SMILES for 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine is FC(F)(CC1CCNCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine?
The InChIKey is CINUEYSAXCPBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-14(16,8-10-3-5-17-6-4-10)11-1-2-12-13(7-11)19-9-18-12/h1-2,7,10,17H,3-6,8-9H2.
What are the key properties of 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine?
4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine has a molecular weight of 269.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine is sourced from PubChem (CID 116840363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).