3-(4-methyl-1,3-benzodioxol-5-yl)piperidine

C13H17NO2 — CID 84684757

IUPAC3-(4-methyl-1,3-benzodioxol-5-yl)piperidine
SMILESCc1c(C2CCCNC2)ccc2c1OCO2
InChIInChI=1S/C13H17NO2/c1-9-11(10-3-2-6-14-7-10)4-5-12-13(9)16-8-15-12/h4-5,10,14H,2-3,6-8H2,1H3
InChIKeyGPRPNCHCEPMCTK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.19
Rot. Bonds1

About 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine

3-(4-methyl-1,3-benzodioxol-5-yl)piperidine (PubChem CID 84684757) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine.

Molecular Properties

Compound Name3-(4-methyl-1,3-benzodioxol-5-yl)piperidine
PubChem CID84684757
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(4-methyl-1,3-benzodioxol-5-yl)piperidine
SMILESCc1c(C2CCCNC2)ccc2c1OCO2
InChIInChI=1S/C13H17NO2/c1-9-11(10-3-2-6-14-7-10)4-5-12-13(9)16-8-15-12/h4-5,10,14H,2-3,6-8H2,1H3
InChIKeyGPRPNCHCEPMCTK-UHFFFAOYSA-N
XLogP2.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 84696872
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 84684759
3-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387256
3-(7-bromo-1,3-benzodioxol-4-yl)piperidine
CID 117456883
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
3-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117456993
2,3-dimethyl-4-piperidin-3-ylpyridine
CID 84662825
3-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]piperidine
CID 117426259
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-(2,4-dimethylphenyl)piperidine
CID 10535662
3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117412926

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine?
The IUPAC name of 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine (CID 84684757) is 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine.
What is the SMILES notation for 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine?
The canonical SMILES for 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine is Cc1c(C2CCCNC2)ccc2c1OCO2.
What is the InChIKey of 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine?
The InChIKey is GPRPNCHCEPMCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-11(10-3-2-6-14-7-10)4-5-12-13(9)16-8-15-12/h4-5,10,14H,2-3,6-8H2,1H3.
What are the key properties of 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine?
3-(4-methyl-1,3-benzodioxol-5-yl)piperidine has a molecular weight of 219.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-benzodioxol-5-yl)piperidine is sourced from PubChem (CID 84684757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).