(2S)-2-(1,3-benzodioxol-4-yl)piperazine

C11H14N2O2 — CID 171193726

IUPAC(2S)-2-(1,3-benzodioxol-4-yl)piperazine
SMILESc1cc2c(c([C@H]3CNCCN3)c1)OCO2
InChIInChI=1S/C11H14N2O2/c1-2-8(9-6-12-4-5-13-9)11-10(3-1)14-7-15-11/h1-3,9,12-13H,4-7H2/t9-/m1/s1
InChIKeyVGGHOFLBQNQXFM-SECBINFHSA-N
MW206.24 g/mol
LogP0.65
Rot. Bonds1

About (2S)-2-(1,3-benzodioxol-4-yl)piperazine

(2S)-2-(1,3-benzodioxol-4-yl)piperazine (PubChem CID 171193726) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S)-2-(1,3-benzodioxol-4-yl)piperazine.

Molecular Properties

Compound Name(2S)-2-(1,3-benzodioxol-4-yl)piperazine
PubChem CID171193726
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(2S)-2-(1,3-benzodioxol-4-yl)piperazine
SMILESc1cc2c(c([C@H]3CNCCN3)c1)OCO2
InChIInChI=1S/C11H14N2O2/c1-2-8(9-6-12-4-5-13-9)11-10(3-1)14-7-15-11/h1-3,9,12-13H,4-7H2/t9-/m1/s1
InChIKeyVGGHOFLBQNQXFM-SECBINFHSA-N
XLogP0.65
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride
CID 171192633
(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
CID 171195463
[6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine
CID 82389708
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
2-(2-methylphenyl)piperazine;dihydrochloride
CID 70608733
(2R)-2-(3-fluoro-2-methylphenyl)piperazine
CID 131101116
(2R)-2-(2-fluoro-3-pyridinyl)piperazine
CID 131149861
2-methyl-3-piperazin-2-ylaniline
CID 122512540
2-iodo-6-[(2S)-piperazin-2-yl]phenol
CID 130640964
(2S)-2-(3-fluoro-2-methylphenyl)piperazine
CID 55264820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-benzodioxol-4-yl)piperazine?
The IUPAC name of (2S)-2-(1,3-benzodioxol-4-yl)piperazine (CID 171193726) is (2S)-2-(1,3-benzodioxol-4-yl)piperazine.
What is the SMILES notation for (2S)-2-(1,3-benzodioxol-4-yl)piperazine?
The canonical SMILES for (2S)-2-(1,3-benzodioxol-4-yl)piperazine is c1cc2c(c([C@H]3CNCCN3)c1)OCO2.
What is the InChIKey of (2S)-2-(1,3-benzodioxol-4-yl)piperazine?
The InChIKey is VGGHOFLBQNQXFM-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-8(9-6-12-4-5-13-9)11-10(3-1)14-7-15-11/h1-3,9,12-13H,4-7H2/t9-/m1/s1.
What are the key properties of (2S)-2-(1,3-benzodioxol-4-yl)piperazine?
(2S)-2-(1,3-benzodioxol-4-yl)piperazine has a molecular weight of 206.24 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-benzodioxol-4-yl)piperazine is sourced from PubChem (CID 171193726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).