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

C21H29N3O — CID 146287948

IUPAC2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine
SMILESCOc1ccc(C)c(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)n1
InChIInChI=1S/C21H29N3O/c1-15-7-8-21(25-4)23-20(15)14-24-9-5-6-18(13-24)12-19-10-16(2)22-17(3)11-19/h7-8,10-11,18H,5-6,9,12-14H2,1-4H3/t18-/m1/s1
InChIKeyBBQQUWUDXJWZQQ-GOSISDBHSA-N
MW339.48 g/mol
LogP3.87
Rot. Bonds5

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

2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine (PubChem CID 146287948) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine.

Molecular Properties

Compound Name2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine
PubChem CID146287948
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine
SMILESCOc1ccc(C)c(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)n1
InChIInChI=1S/C21H29N3O/c1-15-7-8-21(25-4)23-20(15)14-24-9-5-6-18(13-24)12-19-10-16(2)22-17(3)11-19/h7-8,10-11,18H,5-6,9,12-14H2,1-4H3/t18-/m1/s1
InChIKeyBBQQUWUDXJWZQQ-GOSISDBHSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 153376615
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135268
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-benzothiazole
CID 135135234
4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287985
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
CID 146287766
4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146288297
2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,8-naphthyridine
CID 146288677
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 146287833
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide
CID 146287978
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide
CID 135135294
N-[4-bromo-5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146284871

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine?
The IUPAC name of 2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine (CID 146287948) is 2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine.
What is the SMILES notation for 2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine?
The canonical SMILES for 2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine is COc1ccc(C)c(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)n1.
What is the InChIKey of 2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine?
The InChIKey is BBQQUWUDXJWZQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15-7-8-21(25-4)23-20(15)14-24-9-5-6-18(13-24)12-19-10-16(2)22-17(3)11-19/h7-8,10-11,18H,5-6,9,12-14H2,1-4H3/t18-/m1/s1.
What are the key properties of 2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine?
2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine has a molecular weight of 339.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine is sourced from PubChem (CID 146287948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).