3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine

C16H22FNO2 — CID 117448101

IUPAC3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine
SMILESCC(C)(F)c1cc2c(cc1CC1CCCNC1)OCO2
InChIInChI=1S/C16H22FNO2/c1-16(2,17)13-8-15-14(19-10-20-15)7-12(13)6-11-4-3-5-18-9-11/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyGATBQFOKGKLEER-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.16
Rot. Bonds3

About 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine

3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine (PubChem CID 117448101) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine
PubChem CID117448101
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine
SMILESCC(C)(F)c1cc2c(cc1CC1CCCNC1)OCO2
InChIInChI=1S/C16H22FNO2/c1-16(2,17)13-8-15-14(19-10-20-15)7-12(13)6-11-4-3-5-18-9-11/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyGATBQFOKGKLEER-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
3-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]piperidine
CID 117426259
3-[(6-bromo-7-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117497278
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377672
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine
CID 117417365
3-[(7-fluoro-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117346793
3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine
CID 117464049
3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
CID 117413191

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine?
The IUPAC name of 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine (CID 117448101) is 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine.
What is the SMILES notation for 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine?
The canonical SMILES for 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine is CC(C)(F)c1cc2c(cc1CC1CCCNC1)OCO2.
What is the InChIKey of 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine?
The InChIKey is GATBQFOKGKLEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-16(2,17)13-8-15-14(19-10-20-15)7-12(13)6-11-4-3-5-18-9-11/h7-8,11,18H,3-6,9-10H2,1-2H3.
What are the key properties of 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine?
3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine has a molecular weight of 279.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine is sourced from PubChem (CID 117448101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).