4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine

C14H19NO2 — CID 117338822

IUPAC4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
SMILESCc1ccc2c(c1C1CCNCC1)OCCO2
InChIInChI=1S/C14H19NO2/c1-10-2-3-12-14(17-9-8-16-12)13(10)11-4-6-15-7-5-11/h2-3,11,15H,4-9H2,1H3
InChIKeyVOGZCHNLFDLBFW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds1

About 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine

4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine (PubChem CID 117338822) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine.

Molecular Properties

Compound Name4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
PubChem CID117338822
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
SMILESCc1ccc2c(c1C1CCNCC1)OCCO2
InChIInChI=1S/C14H19NO2/c1-10-2-3-12-14(17-9-8-16-12)13(10)11-4-6-15-7-5-11/h2-3,11,15H,4-9H2,1H3
InChIKeyVOGZCHNLFDLBFW-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine?
The IUPAC name of 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine (CID 117338822) is 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine.
What is the SMILES notation for 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine?
The canonical SMILES for 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine is Cc1ccc2c(c1C1CCNCC1)OCCO2.
What is the InChIKey of 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine?
The InChIKey is VOGZCHNLFDLBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-2-3-12-14(17-9-8-16-12)13(10)11-4-6-15-7-5-11/h2-3,11,15H,4-9H2,1H3.
What are the key properties of 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine?
4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine has a molecular weight of 233.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine is sourced from PubChem (CID 117338822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).