5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine

C17H21N3 — CID 118759817

IUPAC5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
SMILESCc1ncc(Cc2ccccc2)c(C2CCNCC2)n1
InChIInChI=1S/C17H21N3/c1-13-19-12-16(11-14-5-3-2-4-6-14)17(20-13)15-7-9-18-10-8-15/h2-6,12,15,18H,7-11H2,1H3
InChIKeyQFJJUCUVHBWLLL-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.84
Rot. Bonds3

About 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine

5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine (PubChem CID 118759817) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
PubChem CID118759817
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
SMILESCc1ncc(Cc2ccccc2)c(C2CCNCC2)n1
InChIInChI=1S/C17H21N3/c1-13-19-12-16(11-14-5-3-2-4-6-14)17(20-13)15-7-9-18-10-8-15/h2-6,12,15,18H,7-11H2,1H3
InChIKeyQFJJUCUVHBWLLL-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine?
The IUPAC name of 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine (CID 118759817) is 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine.
What is the SMILES notation for 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine?
The canonical SMILES for 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine is Cc1ncc(Cc2ccccc2)c(C2CCNCC2)n1.
What is the InChIKey of 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine?
The InChIKey is QFJJUCUVHBWLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-19-12-16(11-14-5-3-2-4-6-14)17(20-13)15-7-9-18-10-8-15/h2-6,12,15,18H,7-11H2,1H3.
What are the key properties of 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine?
5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine has a molecular weight of 267.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine is sourced from PubChem (CID 118759817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).