4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine

C19H20FNO2S — CID 11221667

IUPAC4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2ccc3c(c2)OCCO3)c(C2CCNCC2)c1
InChIInChI=1S/C19H20FNO2S/c20-14-1-4-19(16(11-14)13-5-7-21-8-6-13)24-15-2-3-17-18(12-15)23-10-9-22-17/h1-4,11-13,21H,5-10H2
InChIKeyVIPZXAHDNSRXSA-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.22
Rot. Bonds3

About 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine

4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine (PubChem CID 11221667) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine
PubChem CID11221667
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2ccc3c(c2)OCCO3)c(C2CCNCC2)c1
InChIInChI=1S/C19H20FNO2S/c20-14-1-4-19(16(11-14)13-5-7-21-8-6-13)24-15-2-3-17-18(12-15)23-10-9-22-17/h1-4,11-13,21H,5-10H2
InChIKeyVIPZXAHDNSRXSA-UHFFFAOYSA-N
XLogP4.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine?
The IUPAC name of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine (CID 11221667) is 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine?
The canonical SMILES for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine is Fc1ccc(Sc2ccc3c(c2)OCCO3)c(C2CCNCC2)c1.
What is the InChIKey of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine?
The InChIKey is VIPZXAHDNSRXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c20-14-1-4-19(16(11-14)13-5-7-21-8-6-13)24-15-2-3-17-18(12-15)23-10-9-22-17/h1-4,11-13,21H,5-10H2.
What are the key properties of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine?
4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine has a molecular weight of 345.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine is sourced from PubChem (CID 11221667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).