4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine

C37H39NO3 — CID 134562587

IUPAC4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
SMILESCOC(OC)C1CCN(c2ccc(C3=C(c4ccccc4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1
InChIInChI=1S/C37H39NO3/c1-39-37(40-2)30-21-23-38(24-22-30)32-16-13-29(14-17-32)36-34(28-11-7-4-8-12-28)19-15-31-25-33(18-20-35(31)36)41-26-27-9-5-3-6-10-27/h3-14,16-18,20,25,30,37H,15,19,21-24,26H2,1-2H3
InChIKeyBMLLKQIRMUVQNV-UHFFFAOYSA-N
MW545.72 g/mol
LogP8.01
Rot. Bonds9

About 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine

4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine (PubChem CID 134562587) has the molecular formula C37H39NO3 and a molecular weight of 545.72 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
PubChem CID134562587
Molecular FormulaC37H39NO3
Molecular Weight545.72 g/mol
Exact Mass545.29
IUPAC Name4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
SMILESCOC(OC)C1CCN(c2ccc(C3=C(c4ccccc4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1
InChIInChI=1S/C37H39NO3/c1-39-37(40-2)30-21-23-38(24-22-30)32-16-13-29(14-17-32)36-34(28-11-7-4-8-12-28)19-15-31-25-33(18-20-35(31)36)41-26-27-9-5-3-6-10-27/h3-14,16-18,20,25,30,37H,15,19,21-24,26H2,1-2H3
InChIKeyBMLLKQIRMUVQNV-UHFFFAOYSA-N
XLogP8.01
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.72
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)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-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
CID 170706322
4-(dimethoxymethyl)-1-[4-(2-methyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 170706291
2-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
CID 170706594
(3S)-3-(2,2-dimethoxyethoxy)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]pyrrolidine
CID 134579714
2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine
CID 170706092
1-[4-(6-bromo-2-methoxy-7-methyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-4-(dimethoxymethyl)piperidine
CID 170705584
7-[4-(2-bromo-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)-3-methoxyphenyl]-2-(dimethoxymethyl)-7-azaspiro[3.5]nonane
CID 170729147
4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]-3-phenyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 154638177
4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 134579937
tert-butyl N-methylcarbamate;ethane;3-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,9-diazaspiro[5.5]undecane
CID 164923137
4-(dimethoxymethyl)-1-[4-[3-(3-fluoro-5-methylphenyl)-7-phenylmethoxy-3,4-dihydro-1H-isochromen-4-yl]phenyl]piperidine
CID 170706662
4-(dimethoxymethyl)-1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidine
CID 165146975

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine?
The IUPAC name of 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine (CID 134562587) is 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine.
What is the SMILES notation for 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine?
The canonical SMILES for 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine is COC(OC)C1CCN(c2ccc(C3=C(c4ccccc4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1.
What is the InChIKey of 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine?
The InChIKey is BMLLKQIRMUVQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39NO3/c1-39-37(40-2)30-21-23-38(24-22-30)32-16-13-29(14-17-32)36-34(28-11-7-4-8-12-28)19-15-31-25-33(18-20-35(31)36)41-26-27-9-5-3-6-10-27/h3-14,16-18,20,25,30,37H,15,19,21-24,26H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine?
4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine has a molecular weight of 545.72 g/mol, XLogP of 8.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine is sourced from PubChem (CID 134562587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).