1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine

C14H19FN2O — CID 171181795

IUPAC1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1ccc2c(c1)CCO2)N1CCNCC1
InChIInChI=1S/C14H19FN2O/c15-10-13(17-6-4-16-5-7-17)11-1-2-14-12(9-11)3-8-18-14/h1-2,9,13,16H,3-8,10H2/t13-/m1/s1
InChIKeyWKOYNCVYGVGHFY-CYBMUJFWSA-N
MW250.32 g/mol
LogP1.54
Rot. Bonds3

About 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine

1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine (PubChem CID 171181795) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
PubChem CID171181795
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1ccc2c(c1)CCO2)N1CCNCC1
InChIInChI=1S/C14H19FN2O/c15-10-13(17-6-4-16-5-7-17)11-1-2-14-12(9-11)3-8-18-14/h1-2,9,13,16H,3-8,10H2/t13-/m1/s1
InChIKeyWKOYNCVYGVGHFY-CYBMUJFWSA-N
XLogP1.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(1,3-benzodioxol-5-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171297096
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
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
2-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-ylethanamine
CID 43804461
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-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
CID 171170564

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine (CID 171181795) is 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine is FC[C@H](c1ccc2c(c1)CCO2)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine?
The InChIKey is WKOYNCVYGVGHFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-10-13(17-6-4-16-5-7-17)11-1-2-14-12(9-11)3-8-18-14/h1-2,9,13,16H,3-8,10H2/t13-/m1/s1.
What are the key properties of 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine?
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine has a molecular weight of 250.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine is sourced from PubChem (CID 171181795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).