1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine

C13H16N2O2 — CID 714703

IUPAC1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine
SMILESC(=NN1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H16N2O2/c1-2-6-15(7-3-1)14-9-11-4-5-12-13(8-11)17-10-16-12/h4-5,8-9H,1-3,6-7,10H2
InChIKeyZLBMUMFDAHWGPV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.24
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine

1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine (PubChem CID 714703) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine
PubChem CID714703
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine
SMILESC(=NN1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H16N2O2/c1-2-6-15(7-3-1)14-9-11-4-5-12-13(8-11)17-10-16-12/h4-5,8-9H,1-3,6-7,10H2
InChIKeyZLBMUMFDAHWGPV-UHFFFAOYSA-N
XLogP2.24
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 6894202
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine
CID 3562864
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide
CID 6900602
4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5349519
(E)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
CID 6176841
(3aR,4S,7S,7aR)-2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98367211
(1R,2S,6S,7R)-4-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 23307017
1-N',2-N'-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]ethanediimidamide
CID 98572403
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
(E)-3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylprop-2-ene-1-selone
CID 15832482
(2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2E,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 163759026
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
CID 10244953

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine (CID 714703) is 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine is C(=NN1CCCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine?
The InChIKey is ZLBMUMFDAHWGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-6-15(7-3-1)14-9-11-4-5-12-13(8-11)17-10-16-12/h4-5,8-9H,1-3,6-7,10H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine?
1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine has a molecular weight of 232.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 714703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).