4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine

C14H19NO3 — CID 117376581

IUPAC4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
SMILESCOc1cc(CC2CCNCC2)c2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-16-12-7-11(6-10-2-4-15-5-3-10)14-13(8-12)17-9-18-14/h7-8,10,15H,2-6,9H2,1H3
InChIKeyLFJPRRHMAIXYHT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.97
Rot. Bonds3

About 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine

4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine (PubChem CID 117376581) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
PubChem CID117376581
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
SMILESCOc1cc(CC2CCNCC2)c2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-16-12-7-11(6-10-2-4-15-5-3-10)14-13(8-12)17-9-18-14/h7-8,10,15H,2-6,9H2,1H3
InChIKeyLFJPRRHMAIXYHT-UHFFFAOYSA-N
XLogP1.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117387532
4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117342505
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
4-[(6-chloro-4-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117423270
4-[(6-bromo-5-methyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117497282
4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol
CID 117385671
4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 117488368
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117446444
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
4-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117408323
4-(isocyanatomethyl)-6-methoxy-1,3-benzodioxole
CID 117295438
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine?
The IUPAC name of 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine (CID 117376581) is 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine?
The canonical SMILES for 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine is COc1cc(CC2CCNCC2)c2c(c1)OCO2.
What is the InChIKey of 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine?
The InChIKey is LFJPRRHMAIXYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-16-12-7-11(6-10-2-4-15-5-3-10)14-13(8-12)17-9-18-14/h7-8,10,15H,2-6,9H2,1H3.
What are the key properties of 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine?
4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine has a molecular weight of 249.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine is sourced from PubChem (CID 117376581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).