1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride

C14H22Cl2N2O — CID 127264092

IUPAC1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
SMILESCC(c1ccc2c(c1)OCC2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20N2O.2ClH/c1-11(16-7-5-15-6-8-16)13-3-2-12-4-9-17-14(12)10-13;;/h2-3,10-11,15H,4-9H2,1H3;2*1H
InChIKeyJPANVHRGLFIQQS-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.43
Rot. Bonds2

About 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride

1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride (PubChem CID 127264092) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
PubChem CID127264092
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
SMILESCC(c1ccc2c(c1)OCC2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20N2O.2ClH/c1-11(16-7-5-15-6-8-16)13-3-2-12-4-9-17-14(12)10-13;;/h2-3,10-11,15H,4-9H2,1H3;2*1H
InChIKeyJPANVHRGLFIQQS-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
CID 135314616
1-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 130377037
8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 146415315
1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine
CID 130376943
4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one
CID 130377006
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
CID 171275729
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-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 130376978
1-[1-(3,4-diiodophenyl)ethyl]piperazine
CID 118911318

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride (CID 127264092) is 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride is CC(c1ccc2c(c1)OCC2)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is JPANVHRGLFIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.2ClH/c1-11(16-7-5-15-6-8-16)13-3-2-12-4-9-17-14(12)10-13;;/h2-3,10-11,15H,4-9H2,1H3;2*1H.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride?
1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 305.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 127264092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).