2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine

C21H25N3 — CID 4701946

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CN3CCC(Cc4ccccc4)CC3)cn12
InChIInChI=1S/C21H25N3/c1-17-6-5-9-21-22-20(16-24(17)21)15-23-12-10-19(11-13-23)14-18-7-3-2-4-8-18/h2-9,16,19H,10-15H2,1H3
InChIKeyDVGKESRRHZNTTE-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.10
Rot. Bonds4

About 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine

2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine (PubChem CID 4701946) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine
PubChem CID4701946
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CN3CCC(Cc4ccccc4)CC3)cn12
InChIInChI=1S/C21H25N3/c1-17-6-5-9-21-22-20(16-24(17)21)15-23-12-10-19(11-13-23)14-18-7-3-2-4-8-18/h2-9,16,19H,10-15H2,1H3
InChIKeyDVGKESRRHZNTTE-UHFFFAOYSA-N
XLogP4.10
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholine
CID 94141154
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
5-methyl-2-[(1-methylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridine
CID 117132185
(2R)-1-benzyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]azetidine-2-carboxamide
CID 124741418
2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine
CID 95345632
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-2-one
CID 673233
N-(1-benzylpyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51110849
1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 166307697
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128991953
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
(7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 95054928

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine (CID 4701946) is 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine is Cc1cccc2nc(CN3CCC(Cc4ccccc4)CC3)cn12.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine?
The InChIKey is DVGKESRRHZNTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-17-6-5-9-21-22-20(16-24(17)21)15-23-12-10-19(11-13-23)14-18-7-3-2-4-8-18/h2-9,16,19H,10-15H2,1H3.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine?
2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine has a molecular weight of 319.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 4701946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).