2-(1,3-benzodioxol-5-yl)-1-methylpiperazine

C12H16N2O2 — CID 70977935

IUPAC2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
SMILESCN1CCNCC1c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O2/c1-14-5-4-13-7-10(14)9-2-3-11-12(6-9)16-8-15-11/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKeyFMJRMXLPIUZMSZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.99
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine

2-(1,3-benzodioxol-5-yl)-1-methylpiperazine (PubChem CID 70977935) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
PubChem CID70977935
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
SMILESCN1CCNCC1c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O2/c1-14-5-4-13-7-10(14)9-2-3-11-12(6-9)16-8-15-11/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKeyFMJRMXLPIUZMSZ-UHFFFAOYSA-N
XLogP0.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
CID 82086895
2-chloro-4-(1-methylpiperazin-2-yl)phenol
CID 82679784
3-(1-methylpiperazin-2-yl)phenol
CID 55262595
N,N-dimethyl-5-(1-methylpiperazin-2-yl)pyridin-2-amine
CID 131540861
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
4-(1-methylpiperazin-2-yl)benzoic acid
CID 116989147
6-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82294809
3-methyl-6-(1-methylpiperazin-2-yl)quinoline
CID 116997812

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine (CID 70977935) is 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine is CN1CCNCC1c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine?
The InChIKey is FMJRMXLPIUZMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-5-4-13-7-10(14)9-2-3-11-12(6-9)16-8-15-11/h2-3,6,10,13H,4-5,7-8H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine?
2-(1,3-benzodioxol-5-yl)-1-methylpiperazine has a molecular weight of 220.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1-methylpiperazine is sourced from PubChem (CID 70977935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).