5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine

C21H24N2 — CID 88870015

IUPAC5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine
SMILESC=C=C(C)C1CCN(c2ccc(Cc3ccccc3)cn2)CC1
InChIInChI=1S/C21H24N2/c1-3-17(2)20-11-13-23(14-12-20)21-10-9-19(16-22-21)15-18-7-5-4-6-8-18/h4-10,16,20H,1,11-15H2,2H3
InChIKeyJYEVEDWPJBRMJF-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.62
Rot. Bonds4

About 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine

5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine (PubChem CID 88870015) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine
PubChem CID88870015
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine
SMILESC=C=C(C)C1CCN(c2ccc(Cc3ccccc3)cn2)CC1
InChIInChI=1S/C21H24N2/c1-3-17(2)20-11-13-23(14-12-20)21-10-9-19(16-22-21)15-18-7-5-4-6-8-18/h4-10,16,20H,1,11-15H2,2H3
InChIKeyJYEVEDWPJBRMJF-UHFFFAOYSA-N
XLogP4.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid
CID 110082239
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
[6-(4-propylpiperidin-1-yl)-3-pyridinyl]methanol
CID 62205775
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 146344171
5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine
CID 138042107
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 80637486
[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 63971176

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine?
The IUPAC name of 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine (CID 88870015) is 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine is C=C=C(C)C1CCN(c2ccc(Cc3ccccc3)cn2)CC1.
What is the InChIKey of 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine?
The InChIKey is JYEVEDWPJBRMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-3-17(2)20-11-13-23(14-12-20)21-10-9-19(16-22-21)15-18-7-5-4-6-8-18/h4-10,16,20H,1,11-15H2,2H3.
What are the key properties of 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine?
5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine has a molecular weight of 304.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine is sourced from PubChem (CID 88870015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).