1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride

C29H32ClNO3 — CID 67634824

IUPAC1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride
SMILESCOc1ccc2c(-c3cc(OCCN4CCCCC4)ccc3C)c(-c3ccccc3)oc2c1.Cl
InChIInChI=1S/C29H31NO3.ClH/c1-21-11-12-24(32-18-17-30-15-7-4-8-16-30)19-26(21)28-25-14-13-23(31-2)20-27(25)33-29(28)22-9-5-3-6-10-22;/h3,5-6,9-14,19-20H,4,7-8,15-18H2,1-2H3;1H
InChIKeyHBRCTQZDXQJUJD-UHFFFAOYSA-N
MW478.03 g/mol
LogP7.37
Rot. Bonds7

About 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride

1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride (PubChem CID 67634824) has the molecular formula C29H32ClNO3 and a molecular weight of 478.03 g/mol. Its IUPAC name is 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride
PubChem CID67634824
Molecular FormulaC29H32ClNO3
Molecular Weight478.03 g/mol
Exact Mass477.21
IUPAC Name1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride
SMILESCOc1ccc2c(-c3cc(OCCN4CCCCC4)ccc3C)c(-c3ccccc3)oc2c1.Cl
InChIInChI=1S/C29H31NO3.ClH/c1-21-11-12-24(32-18-17-30-15-7-4-8-16-30)19-26(21)28-25-14-13-23(31-2)20-27(25)33-29(28)22-9-5-3-6-10-22;/h3,5-6,9-14,19-20H,4,7-8,15-18H2,1-2H3;1H
InChIKeyHBRCTQZDXQJUJD-UHFFFAOYSA-N
XLogP7.37
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.03
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[3-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]-4-methylphenoxy]ethyl]piperidine
CID 67634644
3-phenyl-7-(2-piperidin-1-ylethoxy)-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 71817959
7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 15547179
2-[2-hydroxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxy-1-benzofuran-3-carboxylic acid
CID 141398778
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110
1-[2-[7-[2-(azetidin-1-yl)ethoxy]dibenzofuran-3-yl]oxyethyl]azetidine
CID 57439372
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
1-[2-[4-[(6-methoxy-2-phenyl-1-benzothiophen-3-yl)oxy]phenoxy]ethyl]piperidine
CID 15429025
1-[2-[3-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 3069186
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride (CID 67634824) is 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride is COc1ccc2c(-c3cc(OCCN4CCCCC4)ccc3C)c(-c3ccccc3)oc2c1.Cl.
What is the InChIKey of 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride?
The InChIKey is HBRCTQZDXQJUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO3.ClH/c1-21-11-12-24(32-18-17-30-15-7-4-8-16-30)19-26(21)28-25-14-13-23(31-2)20-27(25)33-29(28)22-9-5-3-6-10-22;/h3,5-6,9-14,19-20H,4,7-8,15-18H2,1-2H3;1H.
What are the key properties of 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride?
1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride has a molecular weight of 478.03 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 67634824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).