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

C17H26N2O — CID 171304422

IUPAC1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccc2c(c1)CCO2)N1CCNCC1
InChIInChI=1S/C17H26N2O/c1-3-13(2)17(19-9-7-18-8-10-19)15-4-5-16-14(12-15)6-11-20-16/h4-5,12-13,17-18H,3,6-11H2,1-2H3/t13?,17-/m1/s1
InChIKeyQEBMCFHDPHBGBR-LRHAYUFXSA-N
MW274.41 g/mol
LogP2.61
Rot. Bonds4

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

1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine (PubChem CID 171304422) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine
PubChem CID171304422
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccc2c(c1)CCO2)N1CCNCC1
InChIInChI=1S/C17H26N2O/c1-3-13(2)17(19-9-7-18-8-10-19)15-4-5-16-14(12-15)6-11-20-16/h4-5,12-13,17-18H,3,6-11H2,1-2H3/t13?,17-/m1/s1
InChIKeyQEBMCFHDPHBGBR-LRHAYUFXSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutyl]piperazine
CID 171305376
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
CID 171275729
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
CID 171181795
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954841
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
2-(2,3-dihydro-1-benzofuran-5-yl)-2-piperazin-1-ylacetamide
CID 54892195
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
1-[(1R)-2-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine
CID 171304812

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine (CID 171304422) is 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine is CCC(C)[C@H](c1ccc2c(c1)CCO2)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine?
The InChIKey is QEBMCFHDPHBGBR-LRHAYUFXSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-13(2)17(19-9-7-18-8-10-19)15-4-5-16-14(12-15)6-11-20-16/h4-5,12-13,17-18H,3,6-11H2,1-2H3/t13?,17-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine?
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.61, 4 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)-2-methylbutyl]piperazine is sourced from PubChem (CID 171304422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).