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

C19H28N2O2 — CID 10087147

IUPAC1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESc1cc2c(c(N3CCN(CC4CCCCC4)CC3)c1)OCCO2
InChIInChI=1S/C19H28N2O2/c1-2-5-16(6-3-1)15-20-9-11-21(12-10-20)17-7-4-8-18-19(17)23-14-13-22-18/h4,7-8,16H,1-3,5-6,9-15H2
InChIKeyBJDAEVOQSZRCRY-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.16
Rot. Bonds3

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

1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (PubChem CID 10087147) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
PubChem CID10087147
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESc1cc2c(c(N3CCN(CC4CCCCC4)CC3)c1)OCCO2
InChIInChI=1S/C19H28N2O2/c1-2-5-16(6-3-1)15-20-9-11-21(12-10-20)17-7-4-8-18-19(17)23-14-13-22-18/h4,7-8,16H,1-3,5-6,9-15H2
InChIKeyBJDAEVOQSZRCRY-UHFFFAOYSA-N
XLogP3.16
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (CID 10087147) is 1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is c1cc2c(c(N3CCN(CC4CCCCC4)CC3)c1)OCCO2.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The InChIKey is BJDAEVOQSZRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-5-16(6-3-1)15-20-9-11-21(12-10-20)17-7-4-8-18-19(17)23-14-13-22-18/h4,7-8,16H,1-3,5-6,9-15H2.
What are the key properties of 1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine has a molecular weight of 316.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is sourced from PubChem (CID 10087147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).