4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine

C16H22ClNO2 — CID 117476646

IUPAC4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
SMILESCCc1c(CC2CCNCC2)cc(Cl)c2c1OCCO2
InChIInChI=1S/C16H22ClNO2/c1-2-13-12(9-11-3-5-18-6-4-11)10-14(17)16-15(13)19-7-8-20-16/h10-11,18H,2-9H2,1H3
InChIKeyWEHVGWVSIRYROI-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.22
Rot. Bonds3

About 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine

4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine (PubChem CID 117476646) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
PubChem CID117476646
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
SMILESCCc1c(CC2CCNCC2)cc(Cl)c2c1OCCO2
InChIInChI=1S/C16H22ClNO2/c1-2-13-12(9-11-3-5-18-6-4-11)10-14(17)16-15(13)19-7-8-20-16/h10-11,18H,2-9H2,1H3
InChIKeyWEHVGWVSIRYROI-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine with MolForge

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Related Compounds

6-chloro-8-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
CID 117476490
4-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117408323
2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
CID 117387726
4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117460260
1-[(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methyl]piperazine
CID 117454652
4-[(6-chloro-4-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117423270
2-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 117428025
1-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-one
CID 117425541
4-[(6-chloro-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117387532
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117478452

Frequently Asked Questions

What is the IUPAC name of 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine?
The IUPAC name of 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine (CID 117476646) is 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine.
What is the SMILES notation for 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine?
The canonical SMILES for 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine is CCc1c(CC2CCNCC2)cc(Cl)c2c1OCCO2.
What is the InChIKey of 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine?
The InChIKey is WEHVGWVSIRYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-13-12(9-11-3-5-18-6-4-11)10-14(17)16-15(13)19-7-8-20-16/h10-11,18H,2-9H2,1H3.
What are the key properties of 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine?
4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine has a molecular weight of 295.81 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine is sourced from PubChem (CID 117476646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).