4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine

C18H22N2 — CID 95846621

IUPAC4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine
SMILESCc1ccc(Cc2ccnc(C3CCNCC3)c2)cc1
InChIInChI=1S/C18H22N2/c1-14-2-4-15(5-3-14)12-16-6-11-20-18(13-16)17-7-9-19-10-8-17/h2-6,11,13,17,19H,7-10,12H2,1H3
InChIKeyYROSAXBUYDWTQI-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.45
Rot. Bonds3

About 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine

4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine (PubChem CID 95846621) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine
PubChem CID95846621
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine
SMILESCc1ccc(Cc2ccnc(C3CCNCC3)c2)cc1
InChIInChI=1S/C18H22N2/c1-14-2-4-15(5-3-14)12-16-6-11-20-18(13-16)17-7-9-19-10-8-17/h2-6,11,13,17,19H,7-10,12H2,1H3
InChIKeyYROSAXBUYDWTQI-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine 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

Triprolidine
CID 5282443
Anabasine
CID 205586
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Prothionamide
CID 666418
(+-)-Anabasine
CID 2181
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
Anabaseine
CID 18985
2-(3-Phenylpropyl)Pyridine
CID 459494
Lanicemine
CID 9794203

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine?
The IUPAC name of 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine (CID 95846621) is 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine is Cc1ccc(Cc2ccnc(C3CCNCC3)c2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine?
The InChIKey is YROSAXBUYDWTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-2-4-15(5-3-14)12-16-6-11-20-18(13-16)17-7-9-19-10-8-17/h2-6,11,13,17,19H,7-10,12H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine?
4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine has a molecular weight of 266.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine is sourced from PubChem (CID 95846621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).