4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine

C19H19ClFNO2 — CID 166020751

IUPAC4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
SMILESFc1cc(Cl)ccc1C1COc2c(cccc2C2CCNCC2)O1
InChIInChI=1S/C19H19ClFNO2/c20-13-4-5-15(16(21)10-13)18-11-23-19-14(2-1-3-17(19)24-18)12-6-8-22-9-7-12/h1-5,10,12,18,22H,6-9,11H2
InChIKeyGWKQUKWDWWXSRK-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.46
Rot. Bonds2

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

4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine (PubChem CID 166020751) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine.

Molecular Properties

Compound Name4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
PubChem CID166020751
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
SMILESFc1cc(Cl)ccc1C1COc2c(cccc2C2CCNCC2)O1
InChIInChI=1S/C19H19ClFNO2/c20-13-4-5-15(16(21)10-13)18-11-23-19-14(2-1-3-17(19)24-18)12-6-8-22-9-7-12/h1-5,10,12,18,22H,6-9,11H2
InChIKeyGWKQUKWDWWXSRK-UHFFFAOYSA-N
XLogP4.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
The IUPAC name of 4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine (CID 166020751) is 4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine.
What is the SMILES notation for 4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
The canonical SMILES for 4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine is Fc1cc(Cl)ccc1C1COc2c(cccc2C2CCNCC2)O1.
What is the InChIKey of 4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
The InChIKey is GWKQUKWDWWXSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-13-4-5-15(16(21)10-13)18-11-23-19-14(2-1-3-17(19)24-18)12-6-8-22-9-7-12/h1-5,10,12,18,22H,6-9,11H2.
What are the key properties of 4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine has a molecular weight of 347.82 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine is sourced from PubChem (CID 166020751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).