4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine

C27H32N2O2 — CID 155876238

IUPAC4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine
SMILESCOc1ccc(C[C@@H]2CN(CCc3ccccc3)CC[C@H]2OCc2ccncc2)cc1
InChIInChI=1S/C27H32N2O2/c1-30-26-9-7-23(8-10-26)19-25-20-29(17-13-22-5-3-2-4-6-22)18-14-27(25)31-21-24-11-15-28-16-12-24/h2-12,15-16,25,27H,13-14,17-21H2,1H3/t25-,27-/m1/s1
InChIKeyOFNITLHTQJSRLS-XNMGPUDCSA-N
MW416.56 g/mol
LogP4.78
Rot. Bonds9

About 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine

4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine (PubChem CID 155876238) has the molecular formula C27H32N2O2 and a molecular weight of 416.56 g/mol. Its IUPAC name is 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine
PubChem CID155876238
Molecular FormulaC27H32N2O2
Molecular Weight416.56 g/mol
Exact Mass416.25
IUPAC Name4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine
SMILESCOc1ccc(C[C@@H]2CN(CCc3ccccc3)CC[C@H]2OCc2ccncc2)cc1
InChIInChI=1S/C27H32N2O2/c1-30-26-9-7-23(8-10-26)19-25-20-29(17-13-22-5-3-2-4-6-22)18-14-27(25)31-21-24-11-15-28-16-12-24/h2-12,15-16,25,27H,13-14,17-21H2,1H3/t25-,27-/m1/s1
InChIKeyOFNITLHTQJSRLS-XNMGPUDCSA-N
XLogP4.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine with MolForge

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Related Compounds

4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine
CID 97422462
1-[(3S,4S)-3-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethoxy)piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155843668
4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
CID 124591492
1-[(3S,4S)-3-benzyl-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-2-methoxyethanone
CID 97475456
1-[(3S,4R)-3-benzyl-4-(pyridin-4-ylmethoxy)piperidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 155854364
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 97422458
4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 125187099
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
2-[(3S,4R)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine
CID 97477000
2-[[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 97422773

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine (CID 155876238) is 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine is COc1ccc(C[C@@H]2CN(CCc3ccccc3)CC[C@H]2OCc2ccncc2)cc1.
What is the InChIKey of 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is OFNITLHTQJSRLS-XNMGPUDCSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-30-26-9-7-23(8-10-26)19-25-20-29(17-13-22-5-3-2-4-6-22)18-14-27(25)31-21-24-11-15-28-16-12-24/h2-12,15-16,25,27H,13-14,17-21H2,1H3/t25-,27-/m1/s1.
What are the key properties of 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine?
4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 416.56 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 155876238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).