1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine

C17H24N2O2 — CID 10779729

IUPAC1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine
SMILESCN1CCN(c2cccc3c2OC2(CCCCC2)O3)CC1
InChIInChI=1S/C17H24N2O2/c1-18-10-12-19(13-11-18)14-6-5-7-15-16(14)21-17(20-15)8-3-2-4-9-17/h5-7H,2-4,8-13H2,1H3
InChIKeyZUSUQDIOXWGPNK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.87
Rot. Bonds1

About 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine

1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine (PubChem CID 10779729) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine.

Molecular Properties

Compound Name1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine
PubChem CID10779729
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine
SMILESCN1CCN(c2cccc3c2OC2(CCCCC2)O3)CC1
InChIInChI=1S/C17H24N2O2/c1-18-10-12-19(13-11-18)14-6-5-7-15-16(14)21-17(20-15)8-3-2-4-9-17/h5-7H,2-4,8-13H2,1H3
InChIKeyZUSUQDIOXWGPNK-UHFFFAOYSA-N
XLogP2.87
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine?
The IUPAC name of 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine (CID 10779729) is 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine.
What is the SMILES notation for 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine?
The canonical SMILES for 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine is CN1CCN(c2cccc3c2OC2(CCCCC2)O3)CC1.
What is the InChIKey of 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine?
The InChIKey is ZUSUQDIOXWGPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-10-12-19(13-11-18)14-6-5-7-15-16(14)21-17(20-15)8-3-2-4-9-17/h5-7H,2-4,8-13H2,1H3.
What are the key properties of 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine?
1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine has a molecular weight of 288.39 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine is sourced from PubChem (CID 10779729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).