1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine

C20H25N3O3 — CID 118911056

IUPAC1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine
SMILESCOc1cccc(N2CCN(C(C)c3ccc4c(c3)OCCO4)CC2)n1
InChIInChI=1S/C20H25N3O3/c1-15(16-6-7-17-18(14-16)26-13-12-25-17)22-8-10-23(11-9-22)19-4-3-5-20(21-19)24-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyDZTAFDVMBYMDTJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.74
Rot. Bonds4

About 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine (PubChem CID 118911056) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine
PubChem CID118911056
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine
SMILESCOc1cccc(N2CCN(C(C)c3ccc4c(c3)OCCO4)CC2)n1
InChIInChI=1S/C20H25N3O3/c1-15(16-6-7-17-18(14-16)26-13-12-25-17)22-8-10-23(11-9-22)19-4-3-5-20(21-19)24-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyDZTAFDVMBYMDTJ-UHFFFAOYSA-N
XLogP2.74
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine?
The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine (CID 118911056) is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine?
The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine is COc1cccc(N2CCN(C(C)c3ccc4c(c3)OCCO4)CC2)n1.
What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine?
The InChIKey is DZTAFDVMBYMDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(16-6-7-17-18(14-16)26-13-12-25-17)22-8-10-23(11-9-22)19-4-3-5-20(21-19)24-2/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine?
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine has a molecular weight of 355.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(6-methoxy-2-pyridinyl)piperazine is sourced from PubChem (CID 118911056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).