4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine

C14H17ClFNO2 — CID 117460260

IUPAC4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESFc1c(CC2CCNCC2)cc2c(c1Cl)OCCO2
InChIInChI=1S/C14H17ClFNO2/c15-12-13(16)10(7-9-1-3-17-4-2-9)8-11-14(12)19-6-5-18-11/h8-9,17H,1-7H2
InChIKeyXQIXPNVUXQVGLF-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.79
Rot. Bonds2

About 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine

4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (PubChem CID 117460260) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
PubChem CID117460260
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESFc1c(CC2CCNCC2)cc2c(c1Cl)OCCO2
InChIInChI=1S/C14H17ClFNO2/c15-12-13(16)10(7-9-1-3-17-4-2-9)8-11-14(12)19-6-5-18-11/h8-9,17H,1-7H2
InChIKeyXQIXPNVUXQVGLF-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117408323
4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol
CID 117385671
O-[2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117372291
5-chloro-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117456203
2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)acetonitrile
CID 84791663
2-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117397554
4-[(6-chloro-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117387532
4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 117476646
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117390767
3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117452568
6-chloro-8-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
CID 117476490

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The IUPAC name of 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (CID 117460260) is 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The canonical SMILES for 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is Fc1c(CC2CCNCC2)cc2c(c1Cl)OCCO2.
What is the InChIKey of 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The InChIKey is XQIXPNVUXQVGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-12-13(16)10(7-9-1-3-17-4-2-9)8-11-14(12)19-6-5-18-11/h8-9,17H,1-7H2.
What are the key properties of 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine has a molecular weight of 285.75 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is sourced from PubChem (CID 117460260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).