(6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine

C14H20N2O2 — CID 82383345

IUPAC(6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine
SMILESC[C@H]1CNCC(c2cccc3c2OCCO3)N1C
InChIInChI=1S/C14H20N2O2/c1-10-8-15-9-12(16(10)2)11-4-3-5-13-14(11)18-7-6-17-13/h3-5,10,12,15H,6-9H2,1-2H3/t10-,12?/m0/s1
InChIKeyNPKRILRSGYGTEL-NUHJPDEHSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds1

About (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine

(6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine (PubChem CID 82383345) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine.

Molecular Properties

Compound Name(6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine
PubChem CID82383345
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine
SMILESC[C@H]1CNCC(c2cccc3c2OCCO3)N1C
InChIInChI=1S/C14H20N2O2/c1-10-8-15-9-12(16(10)2)11-4-3-5-13-14(11)18-7-6-17-13/h3-5,10,12,15H,6-9H2,1-2H3/t10-,12?/m0/s1
InChIKeyNPKRILRSGYGTEL-NUHJPDEHSA-N
XLogP1.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine
CID 82623053
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 71639484
(2S)-2-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]propan-1-one
CID 119314970
(2R)-2-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314979
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
CID 171184161
5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-1-methyl-4-nitroimidazole
CID 95175570
3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one
CID 67660803
(4S)-4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 95175096

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine?
The IUPAC name of (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine (CID 82383345) is (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine.
What is the SMILES notation for (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine?
The canonical SMILES for (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine is C[C@H]1CNCC(c2cccc3c2OCCO3)N1C.
What is the InChIKey of (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine?
The InChIKey is NPKRILRSGYGTEL-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-15-9-12(16(10)2)11-4-3-5-13-14(11)18-7-6-17-13/h3-5,10,12,15H,6-9H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine?
(6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine has a molecular weight of 248.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine is sourced from PubChem (CID 82383345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).