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

C15H20ClNO2 — CID 117452538

IUPAC2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)c(Cl)c2c1OCC2
InChIInChI=1S/C15H20ClNO2/c1-18-13-9-10(8-11-4-2-3-6-17-11)14(16)12-5-7-19-15(12)13/h9,11,17H,2-8H2,1H3
InChIKeyBSXULKBJXXKUPP-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.97
Rot. Bonds3

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

2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine (PubChem CID 117452538) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
PubChem CID117452538
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)c(Cl)c2c1OCC2
InChIInChI=1S/C15H20ClNO2/c1-18-13-9-10(8-11-4-2-3-6-17-11)14(16)12-5-7-19-15(12)13/h9,11,17H,2-8H2,1H3
InChIKeyBSXULKBJXXKUPP-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117454644
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine
CID 113441439
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 117358684
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117423076
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
CID 117494580
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The IUPAC name of 2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine (CID 117452538) is 2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine.
What is the SMILES notation for 2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The canonical SMILES for 2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine is COc1cc(CC2CCCCN2)c(Cl)c2c1OCC2.
What is the InChIKey of 2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The InChIKey is BSXULKBJXXKUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-18-13-9-10(8-11-4-2-3-6-17-11)14(16)12-5-7-19-15(12)13/h9,11,17H,2-8H2,1H3.
What are the key properties of 2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine has a molecular weight of 281.78 g/mol, XLogP of 2.97, 3 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-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine is sourced from PubChem (CID 117452538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).