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

C36H38N2O3 — CID 170706322

IUPAC4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
SMILESCOC(OC)C1CCN(c2ccc(C3=C(c4ccncc4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1
InChIInChI=1S/C36H38N2O3/c1-39-36(40-2)29-18-22-38(23-19-29)31-11-8-28(9-12-31)35-33(27-16-20-37-21-17-27)14-10-30-24-32(13-15-34(30)35)41-25-26-6-4-3-5-7-26/h3-9,11-13,15-17,20-21,24,29,36H,10,14,18-19,22-23,25H2,1-2H3
InChIKeyINVQYOAUBGMQLU-UHFFFAOYSA-N
MW546.71 g/mol
LogP7.40
Rot. Bonds9

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

4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine (PubChem CID 170706322) has the molecular formula C36H38N2O3 and a molecular weight of 546.71 g/mol. Its IUPAC name is 4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
PubChem CID170706322
Molecular FormulaC36H38N2O3
Molecular Weight546.71 g/mol
Exact Mass546.29
IUPAC Name4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
SMILESCOC(OC)C1CCN(c2ccc(C3=C(c4ccncc4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1
InChIInChI=1S/C36H38N2O3/c1-39-36(40-2)29-18-22-38(23-19-29)31-11-8-28(9-12-31)35-33(27-16-20-37-21-17-27)14-10-30-24-32(13-15-34(30)35)41-25-26-6-4-3-5-7-26/h3-9,11-13,15-17,20-21,24,29,36H,10,14,18-19,22-23,25H2,1-2H3
InChIKeyINVQYOAUBGMQLU-UHFFFAOYSA-N
XLogP7.40
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 134562587
2-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
CID 170706594
4-(dimethoxymethyl)-1-[4-(2-methyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 170706291
(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
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-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 134579937
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-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine?
The IUPAC name of 4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine (CID 170706322) is 4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine.
What is the SMILES notation for 4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine?
The canonical SMILES for 4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine is COC(OC)C1CCN(c2ccc(C3=C(c4ccncc4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1.
What is the InChIKey of 4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine?
The InChIKey is INVQYOAUBGMQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O3/c1-39-36(40-2)29-18-22-38(23-19-29)31-11-8-28(9-12-31)35-33(27-16-20-37-21-17-27)14-10-30-24-32(13-15-34(30)35)41-25-26-6-4-3-5-7-26/h3-9,11-13,15-17,20-21,24,29,36H,10,14,18-19,22-23,25H2,1-2H3.
What are the key properties of 4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine?
4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine has a molecular weight of 546.71 g/mol, XLogP of 7.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine is sourced from PubChem (CID 170706322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).