2-phenoxy-5-piperidin-1-ylpyrimidine

C15H17N3O — CID 150345244

IUPAC2-phenoxy-5-piperidin-1-ylpyrimidine
SMILESc1ccc(Oc2ncc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C15H17N3O/c1-3-7-14(8-4-1)19-15-16-11-13(12-17-15)18-9-5-2-6-10-18/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyGSOFPCVYHFEHDR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.26
Rot. Bonds3

About 2-phenoxy-5-piperidin-1-ylpyrimidine

2-phenoxy-5-piperidin-1-ylpyrimidine (PubChem CID 150345244) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-phenoxy-5-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-phenoxy-5-piperidin-1-ylpyrimidine
PubChem CID150345244
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-phenoxy-5-piperidin-1-ylpyrimidine
SMILESc1ccc(Oc2ncc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C15H17N3O/c1-3-7-14(8-4-1)19-15-16-11-13(12-17-15)18-9-5-2-6-10-18/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyGSOFPCVYHFEHDR-UHFFFAOYSA-N
XLogP3.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-5-piperidin-1-ylpyrimidine?
The IUPAC name of 2-phenoxy-5-piperidin-1-ylpyrimidine (CID 150345244) is 2-phenoxy-5-piperidin-1-ylpyrimidine.
What is the SMILES notation for 2-phenoxy-5-piperidin-1-ylpyrimidine?
The canonical SMILES for 2-phenoxy-5-piperidin-1-ylpyrimidine is c1ccc(Oc2ncc(N3CCCCC3)cn2)cc1.
What is the InChIKey of 2-phenoxy-5-piperidin-1-ylpyrimidine?
The InChIKey is GSOFPCVYHFEHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-7-14(8-4-1)19-15-16-11-13(12-17-15)18-9-5-2-6-10-18/h1,3-4,7-8,11-12H,2,5-6,9-10H2.
What are the key properties of 2-phenoxy-5-piperidin-1-ylpyrimidine?
2-phenoxy-5-piperidin-1-ylpyrimidine has a molecular weight of 255.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-5-piperidin-1-ylpyrimidine is sourced from PubChem (CID 150345244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).