1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine

C13H15ClN2O — CID 115004527

IUPAC1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
SMILESClc1cccc2cc(CN3CCNCC3)oc12
InChIInChI=1S/C13H15ClN2O/c14-12-3-1-2-10-8-11(17-13(10)12)9-16-6-4-15-5-7-16/h1-3,8,15H,4-7,9H2
InChIKeyGHNXFSGAJSAYPY-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.49
Rot. Bonds2

About 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine

1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine (PubChem CID 115004527) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
PubChem CID115004527
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
SMILESClc1cccc2cc(CN3CCNCC3)oc12
InChIInChI=1S/C13H15ClN2O/c14-12-3-1-2-10-8-11(17-13(10)12)9-16-6-4-15-5-7-16/h1-3,8,15H,4-7,9H2
InChIKeyGHNXFSGAJSAYPY-UHFFFAOYSA-N
XLogP2.49
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7-chloro-1-benzofuran-2-yl)methyl]azepane
CID 117182733
1-[(7-bromo-1-benzofuran-2-yl)methyl]azepane
CID 117182734
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
7-chloro-2-(isocyanomethyl)-1-benzofuran
CID 83484072
1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine
CID 82264255
[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine
CID 117179209
1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine
CID 24736268
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
3-(7-chloro-1-benzofuran-2-yl)propanal
CID 114733142
5-(piperazin-1-ylmethyl)furan-2-amine
CID 82503886
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine
CID 174835848

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine?
The IUPAC name of 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine (CID 115004527) is 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine is Clc1cccc2cc(CN3CCNCC3)oc12.
What is the InChIKey of 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine?
The InChIKey is GHNXFSGAJSAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-12-3-1-2-10-8-11(17-13(10)12)9-16-6-4-15-5-7-16/h1-3,8,15H,4-7,9H2.
What are the key properties of 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine?
1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine has a molecular weight of 250.73 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine is sourced from PubChem (CID 115004527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).