3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine

C35H47NO6 — CID 68504096

IUPAC3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
SMILESCCc1ccc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3OC)cc2)cc1OCCCOC
InChIInChI=1S/C35H47NO6/c1-4-28-12-11-27(23-34(28)41-22-7-19-37-2)25-42-35-24-36-18-17-32(35)29-13-15-31(16-14-29)40-21-8-20-39-26-30-9-5-6-10-33(30)38-3/h5-6,9-16,23,32,35-36H,4,7-8,17-22,24-26H2,1-3H3
InChIKeyILOQBMDKWPIVEM-UHFFFAOYSA-N
MW577.76 g/mol
LogP6.32
Rot. Bonds18

About 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine

3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine (PubChem CID 68504096) has the molecular formula C35H47NO6 and a molecular weight of 577.76 g/mol. Its IUPAC name is 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine.

Molecular Properties

Compound Name3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
PubChem CID68504096
Molecular FormulaC35H47NO6
Molecular Weight577.76 g/mol
Exact Mass577.34
IUPAC Name3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
SMILESCCc1ccc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3OC)cc2)cc1OCCCOC
InChIInChI=1S/C35H47NO6/c1-4-28-12-11-27(23-34(28)41-22-7-19-37-2)25-42-35-24-36-18-17-32(35)29-13-15-31(16-14-29)40-21-8-20-39-26-30-9-5-6-10-33(30)38-3/h5-6,9-16,23,32,35-36H,4,7-8,17-22,24-26H2,1-3H3
InChIKeyILOQBMDKWPIVEM-UHFFFAOYSA-N
XLogP6.32
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.76
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]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

4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 142663964
3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 68505630
N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide
CID 59457332
3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 22127952
6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
CID 59457091
6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole
CID 68504442
methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen
CID 145126257
6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole
CID 59457131
6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 68501925
(3R,4R)-3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 10483146
2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
CID 70126616
(3S,4S,5R)-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-ol
CID 69102029

Frequently Asked Questions

What is the IUPAC name of 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine?
The IUPAC name of 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine (CID 68504096) is 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine.
What is the SMILES notation for 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine?
The canonical SMILES for 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine is CCc1ccc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3OC)cc2)cc1OCCCOC.
What is the InChIKey of 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine?
The InChIKey is ILOQBMDKWPIVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47NO6/c1-4-28-12-11-27(23-34(28)41-22-7-19-37-2)25-42-35-24-36-18-17-32(35)29-13-15-31(16-14-29)40-21-8-20-39-26-30-9-5-6-10-33(30)38-3/h5-6,9-16,23,32,35-36H,4,7-8,17-22,24-26H2,1-3H3.
What are the key properties of 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine?
3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine has a molecular weight of 577.76 g/mol, XLogP of 6.32, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine is sourced from PubChem (CID 68504096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).