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

C17H18N2O2 — CID 64924639

IUPAC1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine
SMILESc1ccc(C2CN(c3ccc4c(c3)OCO4)CCN2)cc1
InChIInChI=1S/C17H18N2O2/c1-2-4-13(5-3-1)15-11-19(9-8-18-15)14-6-7-16-17(10-14)21-12-20-16/h1-7,10,15,18H,8-9,11-12H2
InChIKeySNVIWIYTTMEIFA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.57
Rot. Bonds2

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

1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine (PubChem CID 64924639) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine
PubChem CID64924639
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine
SMILESc1ccc(C2CN(c3ccc4c(c3)OCO4)CCN2)cc1
InChIInChI=1S/C17H18N2O2/c1-2-4-13(5-3-1)15-11-19(9-8-18-15)14-6-7-16-17(10-14)21-12-20-16/h1-7,10,15,18H,8-9,11-12H2
InChIKeySNVIWIYTTMEIFA-UHFFFAOYSA-N
XLogP2.57
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine (CID 64924639) is 1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine is c1ccc(C2CN(c3ccc4c(c3)OCO4)CCN2)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine?
The InChIKey is SNVIWIYTTMEIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-4-13(5-3-1)15-11-19(9-8-18-15)14-6-7-16-17(10-14)21-12-20-16/h1-7,10,15,18H,8-9,11-12H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine?
1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine has a molecular weight of 282.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine is sourced from PubChem (CID 64924639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).