1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine

C14H19ClN2O2 — CID 117454644

IUPAC1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(Cl)c2c1OCC2
InChIInChI=1S/C14H19ClN2O2/c1-18-12-8-10(9-17-5-3-16-4-6-17)13(15)11-2-7-19-14(11)12/h8,16H,2-7,9H2,1H3
InChIKeyLLQIMJLXULBJEG-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.69
Rot. Bonds3

About 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine

1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine (PubChem CID 117454644) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
PubChem CID117454644
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(Cl)c2c1OCC2
InChIInChI=1S/C14H19ClN2O2/c1-18-12-8-10(9-17-5-3-16-4-6-17)13(15)11-2-7-19-14(11)12/h8,16H,2-7,9H2,1H3
InChIKeyLLQIMJLXULBJEG-UHFFFAOYSA-N
XLogP1.69
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117478246
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379
4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 117429741
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 117275802
1-[(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117454647

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine?
The IUPAC name of 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine (CID 117454644) is 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine is COc1cc(CN2CCNCC2)c(Cl)c2c1OCC2.
What is the InChIKey of 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine?
The InChIKey is LLQIMJLXULBJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-18-12-8-10(9-17-5-3-16-4-6-17)13(15)11-2-7-19-14(11)12/h8,16H,2-7,9H2,1H3.
What are the key properties of 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine?
1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine has a molecular weight of 282.77 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine is sourced from PubChem (CID 117454644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).