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

C14H20N2O — CID 96840191

IUPAC1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
SMILESC[C@H](c1ccc2c(c1)CCO2)N1CCNCC1
InChIInChI=1S/C14H20N2O/c1-11(16-7-5-15-6-8-16)12-2-3-14-13(10-12)4-9-17-14/h2-3,10-11,15H,4-9H2,1H3/t11-/m1/s1
InChIKeyRIYPMLGKAZACFU-LLVKDONJSA-N
MW232.33 g/mol
LogP1.59
Rot. Bonds2

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

1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine (PubChem CID 96840191) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
PubChem CID96840191
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
SMILESC[C@H](c1ccc2c(c1)CCO2)N1CCNCC1
InChIInChI=1S/C14H20N2O/c1-11(16-7-5-15-6-8-16)12-2-3-14-13(10-12)4-9-17-14/h2-3,10-11,15H,4-9H2,1H3/t11-/m1/s1
InChIKeyRIYPMLGKAZACFU-LLVKDONJSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
CID 127264092
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954841
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine
CID 171304422
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
CID 171275729
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
CID 171181795
2-(2,3-dihydro-1-benzofuran-5-yl)-2-piperazin-1-ylacetamide
CID 54892195
1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride
CID 171275740
1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288374
1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine
CID 116939919
1-[1-(3,4-diiodophenyl)ethyl]piperazine
CID 118911318
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine (CID 96840191) is 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine is C[C@H](c1ccc2c(c1)CCO2)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine?
The InChIKey is RIYPMLGKAZACFU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(16-7-5-15-6-8-16)12-2-3-14-13(10-12)4-9-17-14/h2-3,10-11,15H,4-9H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine?
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine has a molecular weight of 232.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine is sourced from PubChem (CID 96840191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).