4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine

C12H14FNO2 — CID 83822990

IUPAC4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
SMILESFC1(c2ccc3c(c2)OCO3)CCNCC1
InChIInChI=1S/C12H14FNO2/c13-12(3-5-14-6-4-12)9-1-2-10-11(7-9)16-8-15-10/h1-2,7,14H,3-6,8H2
InChIKeyHJPBTWQIYUMDEO-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.96
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine

4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine (PubChem CID 83822990) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
PubChem CID83822990
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
SMILESFC1(c2ccc3c(c2)OCO3)CCNCC1
InChIInChI=1S/C12H14FNO2/c13-12(3-5-14-6-4-12)9-1-2-10-11(7-9)16-8-15-10/h1-2,7,14H,3-6,8H2
InChIKeyHJPBTWQIYUMDEO-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
CID 83822992
3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
CID 82285836
4-fluoro-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67540826
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 59446722
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepan-4-ol
CID 103982844
2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
CID 65007449
spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]
CID 166736064
2-[1-(1,3-benzodioxol-5-yl)cyclobutyl]acetonitrile
CID 54471078
3-(1,3-benzodioxol-5-yl)oxetan-3-ol
CID 75406892
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-ol
CID 55213394
1-(1,3-benzodioxol-5-yl)-4-[(3,5-difluorophenyl)methyl]-4-piperazin-1-ylcyclohexan-1-ol
CID 67581223

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine (CID 83822990) is 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine is FC1(c2ccc3c(c2)OCO3)CCNCC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine?
The InChIKey is HJPBTWQIYUMDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-12(3-5-14-6-4-12)9-1-2-10-11(7-9)16-8-15-10/h1-2,7,14H,3-6,8H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine?
4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine has a molecular weight of 223.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine is sourced from PubChem (CID 83822990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).