6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine

C31H40N2O — CID 66994280

IUPAC6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCC[C@H](c3ccccc3)C2)c(C)n1
InChIInChI=1S/C31H40N2O/c1-6-24-15-11-16-25(7-2)31(24)29-19-30(34-22(3)4)28(23(5)32-29)21-33-18-12-17-27(20-33)26-13-9-8-10-14-26/h8-11,13-16,19,22,27H,6-7,12,17-18,20-21H2,1-5H3/t27-/m0/s1
InChIKeyGVSSADIPHOFDGL-MHZLTWQESA-N
MW456.67 g/mol
LogP7.35
Rot. Bonds8

About 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine

6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine (PubChem CID 66994280) has the molecular formula C31H40N2O and a molecular weight of 456.67 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine
PubChem CID66994280
Molecular FormulaC31H40N2O
Molecular Weight456.67 g/mol
Exact Mass456.31
IUPAC Name6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCC[C@H](c3ccccc3)C2)c(C)n1
InChIInChI=1S/C31H40N2O/c1-6-24-15-11-16-25(7-2)31(24)29-19-30(34-22(3)4)28(23(5)32-29)21-33-18-12-17-27(20-33)26-13-9-8-10-14-26/h8-11,13-16,19,22,27H,6-7,12,17-18,20-21H2,1-5H3/t27-/m0/s1
InChIKeyGVSSADIPHOFDGL-MHZLTWQESA-N
XLogP7.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine with MolForge

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Related Compounds

6-(2,6-diethylphenyl)-2-methyl-3-[[(3S)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine
CID 66993736
6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine
CID 66993726
6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 66993970
6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine
CID 66995168
4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine
CID 66993966
(2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine
CID 66994887
6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine
CID 66994470
3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine
CID 66994471
6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine
CID 66995131
(2R,6R)-4-[[6-(2,6-diethylphenyl)-4-(1-ethylpyrrolidin-3-yl)oxy-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine
CID 66994717
6-(2,6-diethylphenyl)-2-methyl-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]-4-(pyrrolidin-1-ylmethyl)pyridine
CID 66994509
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine
CID 66994944

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine (CID 66994280) is 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine is CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCC[C@H](c3ccccc3)C2)c(C)n1.
What is the InChIKey of 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine?
The InChIKey is GVSSADIPHOFDGL-MHZLTWQESA-N. The full InChI is InChI=1S/C31H40N2O/c1-6-24-15-11-16-25(7-2)31(24)29-19-30(34-22(3)4)28(23(5)32-29)21-33-18-12-17-27(20-33)26-13-9-8-10-14-26/h8-11,13-16,19,22,27H,6-7,12,17-18,20-21H2,1-5H3/t27-/m0/s1.
What are the key properties of 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine?
6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine has a molecular weight of 456.67 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine is sourced from PubChem (CID 66994280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).