2-chloro-4-piperidin-4-yloxypyrimidine

C9H12ClN3O — CID 28875884

IUPAC2-chloro-4-piperidin-4-yloxypyrimidine
SMILESClc1nccc(OC2CCNCC2)n1
InChIInChI=1S/C9H12ClN3O/c10-9-12-6-3-8(13-9)14-7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2
InChIKeyFVNARMLYKIDRJA-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.26
Rot. Bonds2

About 2-chloro-4-piperidin-4-yloxypyrimidine

2-chloro-4-piperidin-4-yloxypyrimidine (PubChem CID 28875884) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-4-piperidin-4-yloxypyrimidine.

Molecular Properties

Compound Name2-chloro-4-piperidin-4-yloxypyrimidine
PubChem CID28875884
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-4-piperidin-4-yloxypyrimidine
SMILESClc1nccc(OC2CCNCC2)n1
InChIInChI=1S/C9H12ClN3O/c10-9-12-6-3-8(13-9)14-7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2
InChIKeyFVNARMLYKIDRJA-UHFFFAOYSA-N
XLogP1.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-4-yloxypyrimidine?
The IUPAC name of 2-chloro-4-piperidin-4-yloxypyrimidine (CID 28875884) is 2-chloro-4-piperidin-4-yloxypyrimidine.
What is the SMILES notation for 2-chloro-4-piperidin-4-yloxypyrimidine?
The canonical SMILES for 2-chloro-4-piperidin-4-yloxypyrimidine is Clc1nccc(OC2CCNCC2)n1.
What is the InChIKey of 2-chloro-4-piperidin-4-yloxypyrimidine?
The InChIKey is FVNARMLYKIDRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-9-12-6-3-8(13-9)14-7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2.
What are the key properties of 2-chloro-4-piperidin-4-yloxypyrimidine?
2-chloro-4-piperidin-4-yloxypyrimidine has a molecular weight of 213.67 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-4-yloxypyrimidine is sourced from PubChem (CID 28875884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).