1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine

C18H28N2O2 — CID 71862715

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine
SMILESCOCC(C)N1CCN(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H28N2O2/c1-15(14-21-2)20-10-8-19(9-11-20)7-5-16-3-4-18-17(13-16)6-12-22-18/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyKKLNTYNBPHNMRG-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.82
Rot. Bonds6

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine (PubChem CID 71862715) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine
PubChem CID71862715
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine
SMILESCOCC(C)N1CCN(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H28N2O2/c1-15(14-21-2)20-10-8-19(9-11-20)7-5-16-3-4-18-17(13-16)6-12-22-18/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyKKLNTYNBPHNMRG-UHFFFAOYSA-N
XLogP1.82
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine (CID 71862715) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine is COCC(C)N1CCN(CCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine?
The InChIKey is KKLNTYNBPHNMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(14-21-2)20-10-8-19(9-11-20)7-5-16-3-4-18-17(13-16)6-12-22-18/h3-4,13,15H,5-12,14H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine has a molecular weight of 304.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-(1-methoxypropan-2-yl)piperazine is sourced from PubChem (CID 71862715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).