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

C14H18ClNO2 — CID 117423076

IUPAC3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
SMILESCOc1cc(C2CCCNC2)c(Cl)c2c1OCC2
InChIInChI=1S/C14H18ClNO2/c1-17-12-7-11(9-3-2-5-16-8-9)13(15)10-4-6-18-14(10)12/h7,9,16H,2-6,8H2,1H3
InChIKeyQIBKLYRQNPFTLY-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.75
Rot. Bonds2

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

3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine (PubChem CID 117423076) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine.

Molecular Properties

Compound Name3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
PubChem CID117423076
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
SMILESCOc1cc(C2CCCNC2)c(Cl)c2c1OCC2
InChIInChI=1S/C14H18ClNO2/c1-17-12-7-11(9-3-2-5-16-8-9)13(15)10-4-6-18-14(10)12/h7,9,16H,2-6,8H2,1H3
InChIKeyQIBKLYRQNPFTLY-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)pyrrolidine
CID 117480079
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117452538
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
CID 117387978
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine
CID 117489901
1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117454644
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine?
The IUPAC name of 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine (CID 117423076) is 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine.
What is the SMILES notation for 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine?
The canonical SMILES for 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine is COc1cc(C2CCCNC2)c(Cl)c2c1OCC2.
What is the InChIKey of 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine?
The InChIKey is QIBKLYRQNPFTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-17-12-7-11(9-3-2-5-16-8-9)13(15)10-4-6-18-14(10)12/h7,9,16H,2-6,8H2,1H3.
What are the key properties of 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine?
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine has a molecular weight of 267.76 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine is sourced from PubChem (CID 117423076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).