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

C16H26Cl2N2O — CID 135314616

IUPAC1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
SMILESCC(c1ccc2c(c1)OC(C)(C)C2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H24N2O.2ClH/c1-12(18-8-6-17-7-9-18)13-4-5-14-11-16(2,3)19-15(14)10-13;;/h4-5,10,12,17H,6-9,11H2,1-3H3;2*1H
InChIKeyITDLBNDJFZSSTF-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.21
Rot. Bonds2

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

1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride (PubChem CID 135314616) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
PubChem CID135314616
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
SMILESCC(c1ccc2c(c1)OC(C)(C)C2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H24N2O.2ClH/c1-12(18-8-6-17-7-9-18)13-4-5-14-11-16(2,3)19-15(14)10-13;;/h4-5,10,12,17H,6-9,11H2,1-3H3;2*1H
InChIKeyITDLBNDJFZSSTF-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
CID 127264092
2-[4-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methylsulfanylpyrimidine
CID 142413899
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine
CID 117405680
1-[1-(3,4-diiodophenyl)ethyl]piperazine
CID 118911318
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171168635
1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171166411
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride (CID 135314616) is 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride is CC(c1ccc2c(c1)OC(C)(C)C2)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is ITDLBNDJFZSSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.2ClH/c1-12(18-8-6-17-7-9-18)13-4-5-14-11-16(2,3)19-15(14)10-13;;/h4-5,10,12,17H,6-9,11H2,1-3H3;2*1H.
What are the key properties of 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride?
1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 333.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 135314616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).