4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine

C13H20N4O — CID 53185904

IUPAC4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine
SMILESc1nc(OC2CCNC2)cc(N2CCCCC2)n1
InChIInChI=1S/C13H20N4O/c1-2-6-17(7-3-1)12-8-13(16-10-15-12)18-11-4-5-14-9-11/h8,10-11,14H,1-7,9H2
InChIKeyUSLXVHMDAKWBNZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.21
Rot. Bonds3

About 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine

4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine (PubChem CID 53185904) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine
PubChem CID53185904
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine
SMILESc1nc(OC2CCNC2)cc(N2CCCCC2)n1
InChIInChI=1S/C13H20N4O/c1-2-6-17(7-3-1)12-8-13(16-10-15-12)18-11-4-5-14-9-11/h8,10-11,14H,1-7,9H2
InChIKeyUSLXVHMDAKWBNZ-UHFFFAOYSA-N
XLogP1.21
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine?
The IUPAC name of 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine (CID 53185904) is 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine.
What is the SMILES notation for 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine?
The canonical SMILES for 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine is c1nc(OC2CCNC2)cc(N2CCCCC2)n1.
What is the InChIKey of 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine?
The InChIKey is USLXVHMDAKWBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-6-17(7-3-1)12-8-13(16-10-15-12)18-11-4-5-14-9-11/h8,10-11,14H,1-7,9H2.
What are the key properties of 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine?
4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine has a molecular weight of 248.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-pyrrolidin-3-yloxypyrimidine is sourced from PubChem (CID 53185904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).