3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine

C15H20FNO2 — CID 117417365

IUPAC3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine
SMILESCC(F)c1cc(CC2CCCNC2)c2c(c1)OCO2
InChIInChI=1S/C15H20FNO2/c1-10(16)12-6-13(5-11-3-2-4-17-8-11)15-14(7-12)18-9-19-15/h6-7,10-11,17H,2-5,8-9H2,1H3
InChIKeyKJZSJQUUZPMKKC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.99
Rot. Bonds3

About 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine

3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine (PubChem CID 117417365) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine
PubChem CID117417365
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine
SMILESCC(F)c1cc(CC2CCCNC2)c2c(c1)OCO2
InChIInChI=1S/C15H20FNO2/c1-10(16)12-6-13(5-11-3-2-4-17-8-11)15-14(7-12)18-9-19-15/h6-7,10-11,17H,2-5,8-9H2,1H3
InChIKeyKJZSJQUUZPMKKC-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7-fluoro-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117346793
3-[(6-bromo-7-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117497278
3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117476637
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84815889
6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol
CID 84797363
3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine
CID 117448101
2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]acetonitrile
CID 84779364
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
CID 84788099
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117451785

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine?
The IUPAC name of 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine (CID 117417365) is 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine.
What is the SMILES notation for 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine?
The canonical SMILES for 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine is CC(F)c1cc(CC2CCCNC2)c2c(c1)OCO2.
What is the InChIKey of 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine?
The InChIKey is KJZSJQUUZPMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(16)12-6-13(5-11-3-2-4-17-8-11)15-14(7-12)18-9-19-15/h6-7,10-11,17H,2-5,8-9H2,1H3.
What are the key properties of 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine?
3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine has a molecular weight of 265.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine is sourced from PubChem (CID 117417365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).