1-(3H-1,2-benzodioxol-3-yl)piperidine

C12H15NO2 — CID 174802317

IUPAC1-(3H-1,2-benzodioxol-3-yl)piperidine
SMILESc1ccc2c(c1)OOC2N1CCCCC1
InChIInChI=1S/C12H15NO2/c1-4-8-13(9-5-1)12-10-6-2-3-7-11(10)14-15-12/h2-3,6-7,12H,1,4-5,8-9H2
InChIKeyGYZMGECRDHTXIX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.50
Rot. Bonds1

About 1-(3H-1,2-benzodioxol-3-yl)piperidine

1-(3H-1,2-benzodioxol-3-yl)piperidine (PubChem CID 174802317) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(3H-1,2-benzodioxol-3-yl)piperidine.

Molecular Properties

Compound Name1-(3H-1,2-benzodioxol-3-yl)piperidine
PubChem CID174802317
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(3H-1,2-benzodioxol-3-yl)piperidine
SMILESc1ccc2c(c1)OOC2N1CCCCC1
InChIInChI=1S/C12H15NO2/c1-4-8-13(9-5-1)12-10-6-2-3-7-11(10)14-15-12/h2-3,6-7,12H,1,4-5,8-9H2
InChIKeyGYZMGECRDHTXIX-UHFFFAOYSA-N
XLogP2.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-1,2-benzodioxol-3-yl)piperidine?
The IUPAC name of 1-(3H-1,2-benzodioxol-3-yl)piperidine (CID 174802317) is 1-(3H-1,2-benzodioxol-3-yl)piperidine.
What is the SMILES notation for 1-(3H-1,2-benzodioxol-3-yl)piperidine?
The canonical SMILES for 1-(3H-1,2-benzodioxol-3-yl)piperidine is c1ccc2c(c1)OOC2N1CCCCC1.
What is the InChIKey of 1-(3H-1,2-benzodioxol-3-yl)piperidine?
The InChIKey is GYZMGECRDHTXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-8-13(9-5-1)12-10-6-2-3-7-11(10)14-15-12/h2-3,6-7,12H,1,4-5,8-9H2.
What are the key properties of 1-(3H-1,2-benzodioxol-3-yl)piperidine?
1-(3H-1,2-benzodioxol-3-yl)piperidine has a molecular weight of 205.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-1,2-benzodioxol-3-yl)piperidine is sourced from PubChem (CID 174802317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).