1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

C20H30N2O2 — CID 10471851

IUPAC1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESc1cc2c(c(N3CCN(CCC4CCCCC4)CC3)c1)OCCO2
InChIInChI=1S/C20H30N2O2/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19/h4,7-8,17H,1-3,5-6,9-16H2
InChIKeyPIXPONBGJIYLST-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (PubChem CID 10471851) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
PubChem CID10471851
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESc1cc2c(c(N3CCN(CCC4CCCCC4)CC3)c1)OCCO2
InChIInChI=1S/C20H30N2O2/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19/h4,7-8,17H,1-3,5-6,9-16H2
InChIKeyPIXPONBGJIYLST-UHFFFAOYSA-N
XLogP3.55
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The IUPAC name of 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (CID 10471851) is 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is c1cc2c(c(N3CCN(CCC4CCCCC4)CC3)c1)OCCO2.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The InChIKey is PIXPONBGJIYLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19/h4,7-8,17H,1-3,5-6,9-16H2.
What are the key properties of 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine has a molecular weight of 330.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is sourced from PubChem (CID 10471851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).