1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine

C29H31NO3S — CID 50941132

IUPAC1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C29H31NO3S/c1-31-23-10-8-22(9-11-23)29-28(26-15-14-25(32-2)20-27(26)34-29)21-6-12-24(13-7-21)33-19-18-30-16-4-3-5-17-30/h6-15,20H,3-5,16-19H2,1-2H3
InChIKeyGDKDMIRUBAGJLO-UHFFFAOYSA-N
MW473.64 g/mol
LogP7.12
Rot. Bonds8

About 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine

1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine (PubChem CID 50941132) has the molecular formula C29H31NO3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine
PubChem CID50941132
Molecular FormulaC29H31NO3S
Molecular Weight473.64 g/mol
Exact Mass473.20
IUPAC Name1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C29H31NO3S/c1-31-23-10-8-22(9-11-23)29-28(26-15-14-25(32-2)20-27(26)34-29)21-6-12-24(13-7-21)33-19-18-30-16-4-3-5-17-30/h6-15,20H,3-5,16-19H2,1-2H3
InChIKeyGDKDMIRUBAGJLO-UHFFFAOYSA-N
XLogP7.12
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine 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

Raloxifene
CID 5035
Raloxifene Hydrochloride
CID 54900
Arzoxifene
CID 179337
2-(4-Hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1-benzothiophen-6-ol
CID 9935633
2-(4-Methanesulfonyl-phenyl)-3-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-benzo[b]thiophen-6-ol
CID 16719865
3-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophene
CID 1635
2-Phenyl-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1-benzothiophen-6-ol
CID 15429026
2-(4-Fluorophenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1-benzothiophen-6-ol
CID 23648275
6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzothiolo[3,2-c]chromene-3,9-diol
CID 9934560
2-(4-Hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol;hydrochloride
CID 9935632
2-(4-Hydroxyphenyl)-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-ol;hydrochloride
CID 10117566
11-[4-(2-Piperidin-1-ylethoxy)phenyl]-6,11-dihydronaphtho[2,3-b][1]benzothiole-3,9-diol
CID 10254189

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine (CID 50941132) is 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine is COc1ccc(-c2sc3cc(OC)ccc3c2-c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine?
The InChIKey is GDKDMIRUBAGJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO3S/c1-31-23-10-8-22(9-11-23)29-28(26-15-14-25(32-2)20-27(26)34-29)21-6-12-24(13-7-21)33-19-18-30-16-4-3-5-17-30/h6-15,20H,3-5,16-19H2,1-2H3.
What are the key properties of 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine?
1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine has a molecular weight of 473.64 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine is sourced from PubChem (CID 50941132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).