4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine

C20H26N2O2 — CID 97422462

IUPAC4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1ccc(C[C@H]2CN(Cc3ccncc3)CC[C@H]2OC)cc1
InChIInChI=1S/C20H26N2O2/c1-23-19-5-3-16(4-6-19)13-18-15-22(12-9-20(18)24-2)14-17-7-10-21-11-8-17/h3-8,10-11,18,20H,9,12-15H2,1-2H3/t18-,20+/m0/s1
InChIKeyHNOUKBKHHYFUOK-AZUAARDMSA-N
MW326.44 g/mol
LogP3.17
Rot. Bonds6

About 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine

4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine (PubChem CID 97422462) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine
PubChem CID97422462
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1ccc(C[C@H]2CN(Cc3ccncc3)CC[C@H]2OC)cc1
InChIInChI=1S/C20H26N2O2/c1-23-19-5-3-16(4-6-19)13-18-15-22(12-9-20(18)24-2)14-17-7-10-21-11-8-17/h3-8,10-11,18,20H,9,12-15H2,1-2H3/t18-,20+/m0/s1
InChIKeyHNOUKBKHHYFUOK-AZUAARDMSA-N
XLogP3.17
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 97422458
2-[[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 97422773
4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine
CID 155876238
2-[[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 171696381
[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124800344
3-[[(3R,4S)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 124797918
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97422477
(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-propylsulfonylpiperidine
CID 124831728
(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-(oxan-4-ylmethyl)piperidine;2,2,2-trifluoroacetic acid
CID 155825543
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine (CID 97422462) is 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine is COc1ccc(C[C@H]2CN(Cc3ccncc3)CC[C@H]2OC)cc1.
What is the InChIKey of 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is HNOUKBKHHYFUOK-AZUAARDMSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-19-5-3-16(4-6-19)13-18-15-22(12-9-20(18)24-2)14-17-7-10-21-11-8-17/h3-8,10-11,18,20H,9,12-15H2,1-2H3/t18-,20+/m0/s1.
What are the key properties of 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine?
4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 326.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 97422462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).