2-piperidin-4-yloxypyrimidine

C9H13N3O — CID 3836732

IUPAC2-piperidin-4-yloxypyrimidine
SMILESc1cnc(OC2CCNCC2)nc1
InChIInChI=1S/C9H13N3O/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2
InChIKeyIAFUZCLDORRBJY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.61
Rot. Bonds2

About 2-piperidin-4-yloxypyrimidine

2-piperidin-4-yloxypyrimidine (PubChem CID 3836732) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-piperidin-4-yloxypyrimidine.

Molecular Properties

Compound Name2-piperidin-4-yloxypyrimidine
PubChem CID3836732
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-piperidin-4-yloxypyrimidine
SMILESc1cnc(OC2CCNCC2)nc1
InChIInChI=1S/C9H13N3O/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2
InChIKeyIAFUZCLDORRBJY-UHFFFAOYSA-N
XLogP0.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxypyrimidine?
The IUPAC name of 2-piperidin-4-yloxypyrimidine (CID 3836732) is 2-piperidin-4-yloxypyrimidine.
What is the SMILES notation for 2-piperidin-4-yloxypyrimidine?
The canonical SMILES for 2-piperidin-4-yloxypyrimidine is c1cnc(OC2CCNCC2)nc1.
What is the InChIKey of 2-piperidin-4-yloxypyrimidine?
The InChIKey is IAFUZCLDORRBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2.
What are the key properties of 2-piperidin-4-yloxypyrimidine?
2-piperidin-4-yloxypyrimidine has a molecular weight of 179.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxypyrimidine is sourced from PubChem (CID 3836732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).