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

C14H19ClN2O — CID 117420850

IUPAC1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine
SMILESCC1Cc2cc(Cl)cc(CN3CCNCC3)c2O1
InChIInChI=1S/C14H19ClN2O/c1-10-6-11-7-13(15)8-12(14(11)18-10)9-17-4-2-16-3-5-17/h7-8,10,16H,2-6,9H2,1H3
InChIKeyNEAYNACZGCFWFE-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.07
Rot. Bonds2

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

1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine (PubChem CID 117420850) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine
PubChem CID117420850
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine
SMILESCC1Cc2cc(Cl)cc(CN3CCNCC3)c2O1
InChIInChI=1S/C14H19ClN2O/c1-10-6-11-7-13(15)8-12(14(11)18-10)9-17-4-2-16-3-5-17/h7-8,10,16H,2-6,9H2,1H3
InChIKeyNEAYNACZGCFWFE-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 83885675
1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117478246
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)butan-1-amine
CID 117352257
1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine
CID 117368565
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907399
3-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117425281
1-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine;hydrochloride
CID 119961912
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
CID 117425714
1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine
CID 117487364
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
1-[(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methyl]piperazine
CID 117454652

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine (CID 117420850) is 1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine is CC1Cc2cc(Cl)cc(CN3CCNCC3)c2O1.
What is the InChIKey of 1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine?
The InChIKey is NEAYNACZGCFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-6-11-7-13(15)8-12(14(11)18-10)9-17-4-2-16-3-5-17/h7-8,10,16H,2-6,9H2,1H3.
What are the key properties of 1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine?
1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine has a molecular weight of 266.77 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine is sourced from PubChem (CID 117420850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).