2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine

C21H29N3O — CID 118723338

IUPAC2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N3O/c1-17(2)19-16-20(23-21(22-19)18-10-5-3-6-11-18)25-15-9-14-24-12-7-4-8-13-24/h3,5-6,10-11,16-17H,4,7-9,12-15H2,1-2H3
InChIKeyYPSZEQBIEHOOET-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.52
Rot. Bonds7

About 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine

2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine (PubChem CID 118723338) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine
PubChem CID118723338
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N3O/c1-17(2)19-16-20(23-21(22-19)18-10-5-3-6-11-18)25-15-9-14-24-12-7-4-8-13-24/h3,5-6,10-11,16-17H,4,7-9,12-15H2,1-2H3
InChIKeyYPSZEQBIEHOOET-UHFFFAOYSA-N
XLogP4.52
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine?
The IUPAC name of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine (CID 118723338) is 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine?
The canonical SMILES for 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine is CC(C)c1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine?
The InChIKey is YPSZEQBIEHOOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-17(2)19-16-20(23-21(22-19)18-10-5-3-6-11-18)25-15-9-14-24-12-7-4-8-13-24/h3,5-6,10-11,16-17H,4,7-9,12-15H2,1-2H3.
What are the key properties of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine?
2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine has a molecular weight of 339.48 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 118723338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).