4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine

C19H27BrN4O — CID 146288297

IUPAC4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCCOc1nc(Br)c(CN2CCCC(Cc3cc(C)nc(C)c3)C2)[nH]1
InChIInChI=1S/C19H27BrN4O/c1-4-25-19-22-17(18(20)23-19)12-24-7-5-6-15(11-24)10-16-8-13(2)21-14(3)9-16/h8-9,15H,4-7,10-12H2,1-3H3,(H,22,23)
InChIKeyUMIJJBDRWJJCBB-UHFFFAOYSA-N
MW407.36 g/mol
LogP4.04
Rot. Bonds6

About 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine

4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine (PubChem CID 146288297) has the molecular formula C19H27BrN4O and a molecular weight of 407.36 g/mol. Its IUPAC name is 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
PubChem CID146288297
Molecular FormulaC19H27BrN4O
Molecular Weight407.36 g/mol
Exact Mass406.14
IUPAC Name4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCCOc1nc(Br)c(CN2CCCC(Cc3cc(C)nc(C)c3)C2)[nH]1
InChIInChI=1S/C19H27BrN4O/c1-4-25-19-22-17(18(20)23-19)12-24-7-5-6-15(11-24)10-16-8-13(2)21-14(3)9-16/h8-9,15H,4-7,10-12H2,1-3H3,(H,22,23)
InChIKeyUMIJJBDRWJJCBB-UHFFFAOYSA-N
XLogP4.04
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine with MolForge

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Related Compounds

2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine
CID 146287948
2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,8-naphthyridine
CID 146288677
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
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
CID 146287766
4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146288313
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
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide
CID 146287978
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 146287833
tert-butyl (3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 146286115
5-[[3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 153376615

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The IUPAC name of 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine (CID 146288297) is 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine.
What is the SMILES notation for 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The canonical SMILES for 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine is CCOc1nc(Br)c(CN2CCCC(Cc3cc(C)nc(C)c3)C2)[nH]1.
What is the InChIKey of 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The InChIKey is UMIJJBDRWJJCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN4O/c1-4-25-19-22-17(18(20)23-19)12-24-7-5-6-15(11-24)10-16-8-13(2)21-14(3)9-16/h8-9,15H,4-7,10-12H2,1-3H3,(H,22,23).
What are the key properties of 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine has a molecular weight of 407.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine is sourced from PubChem (CID 146288297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).