4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine

C15H16ClN3O — CID 176574621

IUPAC4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
SMILESClc1ccnc(N2CCC(Oc3ccccc3)CC2)n1
InChIInChI=1S/C15H16ClN3O/c16-14-6-9-17-15(18-14)19-10-7-13(8-11-19)20-12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11H2
InChIKeyVWKFDWISKQOMDJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.18
Rot. Bonds3

About 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine

4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine (PubChem CID 176574621) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
PubChem CID176574621
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
SMILESClc1ccnc(N2CCC(Oc3ccccc3)CC2)n1
InChIInChI=1S/C15H16ClN3O/c16-14-6-9-17-15(18-14)19-10-7-13(8-11-19)20-12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11H2
InChIKeyVWKFDWISKQOMDJ-UHFFFAOYSA-N
XLogP3.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine (CID 176574621) is 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine is Clc1ccnc(N2CCC(Oc3ccccc3)CC2)n1.
What is the InChIKey of 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine?
The InChIKey is VWKFDWISKQOMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-6-9-17-15(18-14)19-10-7-13(8-11-19)20-12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11H2.
What are the key properties of 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine?
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine has a molecular weight of 289.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 176574621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).