5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine

C16H19N3O — CID 117231365

IUPAC5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine
SMILESCc1ccccc1Oc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C16H19N3O/c1-12-4-2-3-5-15(12)20-14-10-18-16(19-11-14)13-6-8-17-9-7-13/h2-5,10-11,13,17H,6-9H2,1H3
InChIKeyWJVUDXBONAUYQJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.04
Rot. Bonds3

About 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine

5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine (PubChem CID 117231365) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine
PubChem CID117231365
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine
SMILESCc1ccccc1Oc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C16H19N3O/c1-12-4-2-3-5-15(12)20-14-10-18-16(19-11-14)13-6-8-17-9-7-13/h2-5,10-11,13,17H,6-9H2,1H3
InChIKeyWJVUDXBONAUYQJ-UHFFFAOYSA-N
XLogP3.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine?
The IUPAC name of 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine (CID 117231365) is 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine?
The canonical SMILES for 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine is Cc1ccccc1Oc1cnc(C2CCNCC2)nc1.
What is the InChIKey of 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine?
The InChIKey is WJVUDXBONAUYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-4-2-3-5-15(12)20-14-10-18-16(19-11-14)13-6-8-17-9-7-13/h2-5,10-11,13,17H,6-9H2,1H3.
What are the key properties of 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine?
5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine has a molecular weight of 269.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine is sourced from PubChem (CID 117231365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).