2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine

C18H23N3O — CID 115069907

IUPAC2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine
SMILESCOc1ccc(-c2nc(C)c(C3CCNCC3)c(C)n2)cc1
InChIInChI=1S/C18H23N3O/c1-12-17(14-8-10-19-11-9-14)13(2)21-18(20-12)15-4-6-16(22-3)7-5-15/h4-7,14,19H,8-11H2,1-3H3
InChIKeyFJQSFBYRBGZDJG-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine

2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine (PubChem CID 115069907) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine
PubChem CID115069907
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine
SMILESCOc1ccc(-c2nc(C)c(C3CCNCC3)c(C)n2)cc1
InChIInChI=1S/C18H23N3O/c1-12-17(14-8-10-19-11-9-14)13(2)21-18(20-12)15-4-6-16(22-3)7-5-15/h4-7,14,19H,8-11H2,1-3H3
InChIKeyFJQSFBYRBGZDJG-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine 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-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737684
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 59486734
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742252
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
4-[2-(4-methoxyphenyl)phenyl]piperidine
CID 86226215
2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308679
5-(4-methoxyphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015385
2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine
CID 95846619
4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine
CID 145464422
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
(4S)-4-(4-methoxyphenyl)azepane
CID 95439149

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine (CID 115069907) is 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine is COc1ccc(-c2nc(C)c(C3CCNCC3)c(C)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine?
The InChIKey is FJQSFBYRBGZDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-17(14-8-10-19-11-9-14)13(2)21-18(20-12)15-4-6-16(22-3)7-5-15/h4-7,14,19H,8-11H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine?
2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine has a molecular weight of 297.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine is sourced from PubChem (CID 115069907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).