1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine

C29H31NO3 — CID 67634644

IUPAC1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine
SMILESCOc1ccc(-c2oc3ccccc3c2-c2cc(OCCN3CCCCC3)ccc2C)cc1
InChIInChI=1S/C29H31NO3/c1-21-10-13-24(32-19-18-30-16-6-3-7-17-30)20-26(21)28-25-8-4-5-9-27(25)33-29(28)22-11-14-23(31-2)15-12-22/h4-5,8-15,20H,3,6-7,16-19H2,1-2H3
InChIKeySCZIBDWYKQVBJR-UHFFFAOYSA-N
MW441.57 g/mol
LogP6.95
Rot. Bonds7

About 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine

1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine (PubChem CID 67634644) has the molecular formula C29H31NO3 and a molecular weight of 441.57 g/mol. Its IUPAC name is 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine
PubChem CID67634644
Molecular FormulaC29H31NO3
Molecular Weight441.57 g/mol
Exact Mass441.23
IUPAC Name1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine
SMILESCOc1ccc(-c2oc3ccccc3c2-c2cc(OCCN3CCCCC3)ccc2C)cc1
InChIInChI=1S/C29H31NO3/c1-21-10-13-24(32-19-18-30-16-6-3-7-17-30)20-26(21)28-25-8-4-5-9-27(25)33-29(28)22-11-14-23(31-2)15-12-22/h4-5,8-15,20H,3,6-7,16-19H2,1-2H3
InChIKeySCZIBDWYKQVBJR-UHFFFAOYSA-N
XLogP6.95
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride
CID 67634824
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one
CID 39773615
3-phenyl-7-(2-piperidin-1-ylethoxy)-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 71817959
1-[2-[4-[(4-methoxyphenyl)-naphthalen-1-ylmethyl]-3-methylphenoxy]ethyl]pyrrolidine
CID 10433978
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 171470139
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110
2-[2-hydroxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxy-1-benzofuran-3-carboxylic acid
CID 141398778
7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 15547179

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine (CID 67634644) is 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine is COc1ccc(-c2oc3ccccc3c2-c2cc(OCCN3CCCCC3)ccc2C)cc1.
What is the InChIKey of 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine?
The InChIKey is SCZIBDWYKQVBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO3/c1-21-10-13-24(32-19-18-30-16-6-3-7-17-30)20-26(21)28-25-8-4-5-9-27(25)33-29(28)22-11-14-23(31-2)15-12-22/h4-5,8-15,20H,3,6-7,16-19H2,1-2H3.
What are the key properties of 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine?
1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine has a molecular weight of 441.57 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine is sourced from PubChem (CID 67634644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).