2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine

C30H34N2O3 — CID 170706092

IUPAC2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine
SMILESCOC(OC)C1CCN(c2ccc(C3=CCCc4cc(OCc5ccccc5)ccc43)cn2)CC1
InChIInChI=1S/C30H34N2O3/c1-33-30(34-2)23-15-17-32(18-16-23)29-14-11-25(20-31-29)27-10-6-9-24-19-26(12-13-28(24)27)35-21-22-7-4-3-5-8-22/h3-5,7-8,10-14,19-20,23,30H,6,9,15-18,21H2,1-2H3
InChIKeyMFNNYZIGKKGDKL-UHFFFAOYSA-N
MW470.61 g/mol
LogP5.87
Rot. Bonds8

About 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine

2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine (PubChem CID 170706092) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine
PubChem CID170706092
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine
SMILESCOC(OC)C1CCN(c2ccc(C3=CCCc4cc(OCc5ccccc5)ccc43)cn2)CC1
InChIInChI=1S/C30H34N2O3/c1-33-30(34-2)23-15-17-32(18-16-23)29-14-11-25(20-31-29)27-10-6-9-24-19-26(12-13-28(24)27)35-21-22-7-4-3-5-8-22/h3-5,7-8,10-14,19-20,23,30H,6,9,15-18,21H2,1-2H3
InChIKeyMFNNYZIGKKGDKL-UHFFFAOYSA-N
XLogP5.87
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(dimethoxymethyl)-1-[4-(2-methyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 170706291
4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 134562587
3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]oxy]-2-(4-fluorophenyl)-6-phenylmethoxy-1-benzothiophene 1-oxide
CID 140899220
4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
CID 170706322
2-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
CID 170706594
ethane;3-[5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane
CID 170728736
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
(3S)-3-(2,2-dimethoxyethoxy)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]pyrrolidine
CID 134579714
4-(dimethoxymethyl)-1-[4-[3-(3,4-dimethylphenyl)-7-phenylmethoxy-2H-chromen-4-yl]-2-fluorophenyl]piperidine
CID 158789412
1,4-bis[5-(3,4-dimethoxy-5-phenylmethoxyphenyl)-2-pyridinyl]-1,4-diazepane
CID 20634961
7-[4-(2-bromo-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)-3-methoxyphenyl]-2-(dimethoxymethyl)-7-azaspiro[3.5]nonane
CID 170729147
4-(dimethoxymethyl)-1-[4-[3-(3-fluoro-5-methylphenyl)-7-phenylmethoxy-3,4-dihydro-1H-isochromen-4-yl]phenyl]piperidine
CID 170706662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine?
The IUPAC name of 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine (CID 170706092) is 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine.
What is the SMILES notation for 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine?
The canonical SMILES for 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine is COC(OC)C1CCN(c2ccc(C3=CCCc4cc(OCc5ccccc5)ccc43)cn2)CC1.
What is the InChIKey of 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine?
The InChIKey is MFNNYZIGKKGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-33-30(34-2)23-15-17-32(18-16-23)29-14-11-25(20-31-29)27-10-6-9-24-19-26(12-13-28(24)27)35-21-22-7-4-3-5-8-22/h3-5,7-8,10-14,19-20,23,30H,6,9,15-18,21H2,1-2H3.
What are the key properties of 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine?
2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine has a molecular weight of 470.61 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethoxymethyl)piperidin-1-yl]-5-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)pyridine is sourced from PubChem (CID 170706092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).