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

C15H21ClN2O2 — CID 117478246

IUPAC1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C15H21ClN2O2/c1-10-7-12-14(16)11(8-13(19-2)15(12)20-10)9-18-5-3-17-4-6-18/h8,10,17H,3-7,9H2,1-2H3
InChIKeyXTORKCDHBIUYOW-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.08
Rot. Bonds3

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

1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine (PubChem CID 117478246) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
PubChem CID117478246
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C15H21ClN2O2/c1-10-7-12-14(16)11(8-13(19-2)15(12)20-10)9-18-5-3-17-4-6-18/h8,10,17H,3-7,9H2,1-2H3
InChIKeyXTORKCDHBIUYOW-UHFFFAOYSA-N
XLogP2.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117454644
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117358659
1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine
CID 117420850
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117452458
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379
1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine
CID 117487364
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117387211
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine?
The IUPAC name of 1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine (CID 117478246) is 1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine is COc1cc(CN2CCNCC2)c(Cl)c2c1OC(C)C2.
What is the InChIKey of 1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine?
The InChIKey is XTORKCDHBIUYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-7-12-14(16)11(8-13(19-2)15(12)20-10)9-18-5-3-17-4-6-18/h8,10,17H,3-7,9H2,1-2H3.
What are the key properties of 1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine?
1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine has a molecular weight of 296.80 g/mol, XLogP of 2.08, 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-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine is sourced from PubChem (CID 117478246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).