3-(1,3-benzodioxol-5-yl)piperidine

C12H15NO2 — CID 66727486

IUPAC3-(1,3-benzodioxol-5-yl)piperidine
SMILESc1cc2c(cc1C1CCCNC1)OCO2
InChIInChI=1S/C12H15NO2/c1-2-10(7-13-5-1)9-3-4-11-12(6-9)15-8-14-11/h3-4,6,10,13H,1-2,5,7-8H2
InChIKeyFMOWXJYMBIJIIP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.88
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)piperidine

3-(1,3-benzodioxol-5-yl)piperidine (PubChem CID 66727486) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)piperidine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)piperidine
PubChem CID66727486
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(1,3-benzodioxol-5-yl)piperidine
SMILESc1cc2c(cc1C1CCCNC1)OCO2
InChIInChI=1S/C12H15NO2/c1-2-10(7-13-5-1)9-3-4-11-12(6-9)15-8-14-11/h3-4,6,10,13H,1-2,5,7-8H2
InChIKeyFMOWXJYMBIJIIP-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 80503800
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepane
CID 80503780
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771
3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
CID 82281355
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
3-(4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 84684757
(4R)-4-(4-fluorophenyl)azepane;5-methoxy-1,3-benzodioxole
CID 143402043
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
3-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]piperidine
CID 117426259
3-(2,2-dimethyl-1,3-benzoxathiol-6-yl)piperidine
CID 117377644

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)piperidine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)piperidine (CID 66727486) is 3-(1,3-benzodioxol-5-yl)piperidine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)piperidine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)piperidine is c1cc2c(cc1C1CCCNC1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)piperidine?
The InChIKey is FMOWXJYMBIJIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-10(7-13-5-1)9-3-4-11-12(6-9)15-8-14-11/h3-4,6,10,13H,1-2,5,7-8H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)piperidine?
3-(1,3-benzodioxol-5-yl)piperidine has a molecular weight of 205.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)piperidine is sourced from PubChem (CID 66727486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).