2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride

C13H17ClN2O2 — CID 119402574

IUPAC2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1Cc2ccccc2O1)N1CCNCC1
InChIInChI=1S/C13H16N2O2.ClH/c16-13(15-7-5-14-6-8-15)12-9-10-3-1-2-4-11(10)17-12;/h1-4,12,14H,5-9H2;1H
InChIKeyYUYGOWXFKRHABU-UHFFFAOYSA-N
MW268.74 g/mol
LogP0.84
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride

2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride (PubChem CID 119402574) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
PubChem CID119402574
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1Cc2ccccc2O1)N1CCNCC1
InChIInChI=1S/C13H16N2O2.ClH/c16-13(15-7-5-14-6-8-15)12-9-10-3-1-2-4-11(10)17-12;/h1-4,12,14H,5-9H2;1H
InChIKeyYUYGOWXFKRHABU-UHFFFAOYSA-N
XLogP0.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
2,3-dihydro-1-benzofuran-2-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996147
2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119521227
2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506868
(4-benzylpiperazin-1-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 10316388
2,3-dihydro-1-benzofuran-2-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705558
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9087045
[(3S)-3-aminopyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119934449
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309
(4-benzylpiperazin-1-yl)-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9071498
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride (CID 119402574) is 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride is Cl.O=C(C1Cc2ccccc2O1)N1CCNCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride?
The InChIKey is YUYGOWXFKRHABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.ClH/c16-13(15-7-5-14-6-8-15)12-9-10-3-1-2-4-11(10)17-12;/h1-4,12,14H,5-9H2;1H.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride?
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119402574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).