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

C15H18ClNO2 — CID 117448930

IUPAC4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine
SMILESCOc1cc(C2CCNCC2)c(Cl)c2cc(C)oc12
InChIInChI=1S/C15H18ClNO2/c1-9-7-12-14(16)11(10-3-5-17-6-4-10)8-13(18-2)15(12)19-9/h7-8,10,17H,3-6H2,1-2H3
InChIKeyKYFCHOKHCCKNJZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.87
Rot. Bonds2

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

4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine (PubChem CID 117448930) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine.

Molecular Properties

Compound Name4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine
PubChem CID117448930
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine
SMILESCOc1cc(C2CCNCC2)c(Cl)c2cc(C)oc12
InChIInChI=1S/C15H18ClNO2/c1-9-7-12-14(16)11(10-3-5-17-6-4-10)8-13(18-2)15(12)19-9/h7-8,10,17H,3-6H2,1-2H3
InChIKeyKYFCHOKHCCKNJZ-UHFFFAOYSA-N
XLogP3.87
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine
CID 117456299
2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine
CID 117494926
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
CID 117354046
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)morpholine
CID 82622926
4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
CID 117467271
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
CID 117430883
4-(5-chloro-3-ethyl-2-methoxyphenyl)piperidine
CID 117387972
[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117492783
4-(2-methoxyphenyl)piperidine
CID 544738
methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117458145

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine?
The IUPAC name of 4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine (CID 117448930) is 4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine.
What is the SMILES notation for 4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine?
The canonical SMILES for 4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine is COc1cc(C2CCNCC2)c(Cl)c2cc(C)oc12.
What is the InChIKey of 4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine?
The InChIKey is KYFCHOKHCCKNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-9-7-12-14(16)11(10-3-5-17-6-4-10)8-13(18-2)15(12)19-9/h7-8,10,17H,3-6H2,1-2H3.
What are the key properties of 4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine?
4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine has a molecular weight of 279.77 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine is sourced from PubChem (CID 117448930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).