ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate

C31H37NO6 — CID 10553968

IUPACethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCOC(c2ccc(O)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1
InChIInChI=1S/C31H37NO6/c1-4-37-30(34)23-6-5-19-32(22-23)20-21-38-31(24-7-13-27(33)14-8-24,25-9-15-28(35-2)16-10-25)26-11-17-29(36-3)18-12-26/h7-18,23,33H,4-6,19-22H2,1-3H3
InChIKeyCGMYOJBZWKYFGV-UHFFFAOYSA-N
MW519.64 g/mol
LogP4.99
Rot. Bonds11

About ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate

ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate (PubChem CID 10553968) has the molecular formula C31H37NO6 and a molecular weight of 519.64 g/mol. Its IUPAC name is ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate
PubChem CID10553968
Molecular FormulaC31H37NO6
Molecular Weight519.64 g/mol
Exact Mass519.26
IUPAC Nameethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCOC(c2ccc(O)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1
InChIInChI=1S/C31H37NO6/c1-4-37-30(34)23-6-5-19-32(22-23)20-21-38-31(24-7-13-27(33)14-8-24,25-9-15-28(35-2)16-10-25)26-11-17-29(36-3)18-12-26/h7-18,23,33H,4-6,19-22H2,1-3H3
InChIKeyCGMYOJBZWKYFGV-UHFFFAOYSA-N
XLogP4.99
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.64
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate 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-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid
CID 10252950
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
CID 103785584
ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
CID 6459024
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride
CID 6460264
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylate
CID 1377071
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl (3S)-1-[[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]piperidine-3-carboxylate
CID 9193739

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate (CID 10553968) is ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCOC(c2ccc(O)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate?
The InChIKey is CGMYOJBZWKYFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO6/c1-4-37-30(34)23-6-5-19-32(22-23)20-21-38-31(24-7-13-27(33)14-8-24,25-9-15-28(35-2)16-10-25)26-11-17-29(36-3)18-12-26/h7-18,23,33H,4-6,19-22H2,1-3H3.
What are the key properties of ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate?
ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate has a molecular weight of 519.64 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 10553968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).