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

C15H20ClNO2 — CID 117452458

IUPAC2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
SMILESCOc1cc(C2CCCCN2)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C15H20ClNO2/c1-9-7-11-14(16)10(12-5-3-4-6-17-12)8-13(18-2)15(11)19-9/h8-9,12,17H,3-7H2,1-2H3
InChIKeyKHVNOUMBTKHLIC-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.49
Rot. Bonds2

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

2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine (PubChem CID 117452458) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
PubChem CID117452458
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
SMILESCOc1cc(C2CCCCN2)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C15H20ClNO2/c1-9-7-11-14(16)10(12-5-3-4-6-17-12)8-13(18-2)15(11)19-9/h8-9,12,17H,3-7H2,1-2H3
InChIKeyKHVNOUMBTKHLIC-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117358659
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117478246
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
CID 117413709
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117387211
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine?
The IUPAC name of 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine (CID 117452458) is 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine.
What is the SMILES notation for 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine?
The canonical SMILES for 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine is COc1cc(C2CCCCN2)c(Cl)c2c1OC(C)C2.
What is the InChIKey of 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine?
The InChIKey is KHVNOUMBTKHLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-9-7-11-14(16)10(12-5-3-4-6-17-12)8-13(18-2)15(11)19-9/h8-9,12,17H,3-7H2,1-2H3.
What are the key properties of 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine?
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine has a molecular weight of 281.78 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine is sourced from PubChem (CID 117452458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).