4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine

C21H29N3O — CID 146287985

IUPAC4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCOc1ccc(C(C)N2CCC[C@H](Cc3cc(C)nc(C)c3)C2)cn1
InChIInChI=1S/C21H29N3O/c1-15-10-19(11-16(2)23-15)12-18-6-5-9-24(14-18)17(3)20-7-8-21(25-4)22-13-20/h7-8,10-11,13,17-18H,5-6,9,12,14H2,1-4H3/t17?,18-/m1/s1
InChIKeyPILDSFFQJXCWNA-QRWMCTBCSA-N
MW339.48 g/mol
LogP4.12
Rot. Bonds5

About 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine

4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine (PubChem CID 146287985) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
PubChem CID146287985
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCOc1ccc(C(C)N2CCC[C@H](Cc3cc(C)nc(C)c3)C2)cn1
InChIInChI=1S/C21H29N3O/c1-15-10-19(11-16(2)23-15)12-18-6-5-9-24(14-18)17(3)20-7-8-21(25-4)22-13-20/h7-8,10-11,13,17-18H,5-6,9,12,14H2,1-4H3/t17?,18-/m1/s1
InChIKeyPILDSFFQJXCWNA-QRWMCTBCSA-N
XLogP4.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine with MolForge

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Related Compounds

2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
4-[[(3R)-1-[1-(5-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287848
7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 153376531
4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146288313
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]quinoxaline;sulfane
CID 161243207
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 146284930
2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine
CID 146287948
2-(3-ethylpiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114937023
2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine
CID 153376739
7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166766447
5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285034
4-[[(3S)-1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine;sulfane
CID 161445999

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The IUPAC name of 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine (CID 146287985) is 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine.
What is the SMILES notation for 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The canonical SMILES for 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine is COc1ccc(C(C)N2CCC[C@H](Cc3cc(C)nc(C)c3)C2)cn1.
What is the InChIKey of 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The InChIKey is PILDSFFQJXCWNA-QRWMCTBCSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15-10-19(11-16(2)23-15)12-18-6-5-9-24(14-18)17(3)20-7-8-21(25-4)22-13-20/h7-8,10-11,13,17-18H,5-6,9,12,14H2,1-4H3/t17?,18-/m1/s1.
What are the key properties of 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine has a molecular weight of 339.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine is sourced from PubChem (CID 146287985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).